FY 2026 Continuation of Solicitation for the Office of Science Financial Assistance Program

DE-FOA-0003600

FY 2026 Continuation of Solicitation for the Office of
Science Financial Assistance Program
Notice of Funding Opportunity (NOFO) Number:
DE-FOA-0003600
NOFO Type: Amendment 000001
Assistance Listings: 81.049
Amendment 000001 is issued to refine program manager contacts in Advanced Scientific
Computing Research (ASCR), topical descriptions in Biological and Environmental Research
(BER), program manager contacts in Basic Energy Sciences (BES), topical descriptions in
Fusion Energy Sciences (FES), and policy provisions in Section IX.
NOFO Issue Date: September 30, 2025
Submission Deadline for Pre-Applications: A Pre-Application is optional/encouraged.
A Pre-Application may be required for
consideration by certain review panels.
Submission Deadline for Applications: This NOFO will remain open until
September 30, 2026, or until replaced by a
successor NOFO. Applications may be
submitted any time during that period.
Individual topics in this NOFO may have
scheduled review panels. Applications
submitted after the panel’s acceptance date
may be held until the next review panel.

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Table of Contents
I. BASIC INFORMATION .............................................................................................................1
EXECUTIVE SUMMARY ..........................................................................................................1
FUNDING DETAILS .................................................................................................................1
KEY FACTS ................................................................................................................................2
KEY DATES ................................................................................................................................2
AGENCY CONTACT INFORMATION ....................................................................................2
RECOMMENDATION ..............................................................................................................3
II. ELIGIBILITY .............................................................................................................................4
A. ELIGIBLE APPLICANTS ......................................................................................................4
B. COST SHARING ....................................................................................................................5
C. ELIGIBLE INDIVIDUALS ....................................................................................................5
III. PROGRAM DESCRIPTION ....................................................................................................6
A. PURPOSE ...............................................................................................................................6
1. ADVANCED SCIENTIFIC COMPUTING RESEARCH (ASCR) .......................................8
2. BASIC ENERGY SCIENCES (BES) ..................................................................................... 20
3. BIOLOGICAL AND ENVIRONMENTAL RESEARCH (BER)......................................... 53
4. FUSION ENERGY SCIENCES (FES).................................................................................. 65
5. HIGH ENERGY PHYSICS (HEP) ....................................................................................... 83
6. NUCLEAR PHYSICS (NP)................................................................................................... 99
7. ISOTOPE R&D AND PRODUCTION (IRP) ..................................................................... 112
B. PROGRAM GOALS, OBJECTIVES, AND PRIORITIES ................................................. 117
C. AWARD CONTRIBUTION TO GOALS AND OBJECTIVES ........................................ 118
D. PERFORMANCE GOALS ................................................................................................. 118
E. SUBSTANTIAL INVOLVEMENT .................................................................................... 118
F. PROGRAM UNALLOWABLE COSTS ............................................................................. 119
G. CITATIONS TO STATUTE AND REGULATIONS ........................................................ 119
H. PROGRAM HISTORY ...................................................................................................... 119
I. OTHER INFORMATION ................................................................................................... 119
IV. APPLICATION CONTENTS AND FORMAT .................................................................... 121
A. PRELIMINARY SUBMISSIONS ....................................................................................... 121
B. APPLICATION ................................................................................................................... 122
C. COMPONENT PIECES OF THE APPLICATION........................................................... 123
D. INFORMATION THAT MUST BE SUBMITTED AFTER APPLICATION BUT

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BEFORE AWARD .................................................................................................................. 139
V. SUBMISSION REQUIREMENTS AND DEADLINES ........................................................ 140
A. ADDRESS TO REQUEST APPLICATION PACKAGE .................................................. 140
B. UNIQUE ENTITY IDENTIFIER (UEI) AND SYSTEM FOR AWARD MANAGEMENT
(SAM.GOV) ............................................................................................................................. 140
C. SUBMISSION INSTRUCTIONS ....................................................................................... 141
D. SUBMISSION DATES AND TIMES ................................................................................ 141
VI. APPLICATION REVIEW INFORMATION ....................................................................... 143
A. RESPONSIVENESS REVIEW ........................................................................................... 143
B. REVIEW CRITERIA .......................................................................................................... 143
C. REVIEW AND SELECTION PROCESS ........................................................................... 144
VII. AWARD NOTICES ............................................................................................................. 148
A. TYPE OF AWARD INSTRUMENT .................................................................................. 148
B. ANTICIPATED TIMELINE FOR NOTICE OF SELECTION FOR AWARD
NEGOTIATION ...................................................................................................................... 148
VIII. POST-AWARD REQUIREMENTS AND ADMINISTRATION ..................................... 150
A. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS ............................ 150
B. REPORTING ...................................................................................................................... 151
C. REPORTING OF MATTERS RELATED TO RECIPIENT INTEGRITY AND
PERFORMANCE (DECEMBER 2015) ................................................................................. 151
D. INTERIM CONFLICT OF INTEREST POLICY FOR FINANCIAL ASSISTANCE ..... 151
IX. OTHER INFORMATION .................................................................................................... 153
A. CHECKLIST FOR AVOIDING COMMON ERRORS ..................................................... 153
B. HOW-TO GUIDES ............................................................................................................. 155
C. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS ............................ 186
D. REFERENCE MATERIAL ................................................................................................ 211

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I. Basic Information
U.S. Department of Energy (DOE)
Office of Science (SC)
Executive Summary
The Office of Science (SC) of the Department of Energy (DOE) hereby announces its
continuing interest in receiving applications for support of work in the following program
areas: Advanced Scientific Computing Research, Basic Energy Sciences, Biological and
Environmental Research, Fusion Energy Sciences, High Energy Physics, Nuclear Physics,
and Isotope R&D and Production. On September 3, 1992, DOE published in the Federal
Register the Office of Energy Research Financial Assistance Program (now called the Office
of Science Financial Assistance Program), 10 CFR 605, as a Final Rule, which contained a
solicitation for this program. Information about submission of applications, eligibility,
limitations, evaluation and selection processes and other policies and procedures are
specified in 10 CFR 605.
This NOFO is our annual open solicitation that covers all research areas in SC and is open
throughout the Fiscal Year. Any research within SC’s Congressionally authorized mission
may be proposed under this NOFO.
This NOFO will remain open until September 30, 2026, 11:59 PM Eastern Time, or until it is
succeeded by another issuance, whichever occurs first. This NOFO succeeds DE-FOA-
0003432, which was published September 30, 2024.
Funding Details
Expected total available funding Approximately $500,000,000 in current and
future fiscal year funds.
Expected number of awards Historically, 200 to 350 new awards have
been made in response to the NOFO each
year.
Expected dollar amount of individual Historically, awards from $5,000 to
awards $5,000,000 have been made in response to
the NOFO each year.
Expected award project period Awards are expected to be made for a
project period of six months to five years,
with the most common project period being
three years in duration.
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Key Facts
NOFO Title FY 2026 Continuation of Solicitation for the Office of Science
Financial Assistance Program
NOFO Number DE-FOA-0003600
Announcement Type Amendment 000001
Assistance Listing 81.049
Statutory Authority The programmatic authorizing statute is:
Section 646 of Public Law 95-91, U.S. Department of Energy
Organization Act
Section 901, et seq. of Public Law 109-58, Energy Policy Act of
2005
Section 401 of Public Law 115-368, National Quantum Initiative
Act
Governing Uniform Administrative Requirements, Cost Principles, and
Regulations Audit Requirements for Federal Awards, codified at 2 CFR 200
U.S. Department of Energy Financial Assistance Rules, codified at
2 CFR 910
U.S. Department of Energy, Office of Science Financial Assistance
Program Rules, codified at 10 CFR 605
U.S. Department of Energy Other Transaction Agreements Rules,
codified at 2 CFR 930
Key Dates
Key dates are printed on the cover of this NOFO.
Agency Contact Information
Grants.gov 800-518-4726 (toll-free)
Customer Support support@Grants.gov
PAMS 855-818-1846 (toll-free)
Customer Support 301-903-9610
sc.pams-helpdesk@science.doe.gov
Technical/Scientific Questions regarding the program technical requirements
Program Contact must be directed to the point of contact listed for each
program area within this NOFO.
Administrative Contact sc.opencall@science.doe.gov
(questions about budgets
and eligibility)
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Recommendation
SC encourages you to register in all systems as soon as possible. You are also encouraged to
submit letters of intent (LOIs), pre-applications, and applications well before the deadline.
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II. Eligibility
A. Eligible Applicants
All types of applicants are eligible to apply, except nonprofit organizations described in
section 501(c)(4) of the Internal Revenue Code of 1986 that engaged in lobbying activities
after December 31, 1995.
Federally affiliated1 entities must adhere to the eligibility standards below:
1. DOE/NNSA National Laboratories
DOE/NNSA National Laboratories are not eligible to submit applications under this NOFO
but may be proposed as subrecipients under another organization’s application. If
recommended for funding as a proposed subrecipient, the value of the proposed subaward
will be removed from the prime applicant’s award and will be provided to the laboratory
through the DOE Field-Work Proposal System and work will be conducted under the
laboratory’s contract with DOE. No administrative provisions of this NOFO will apply to the
laboratory or any laboratory subcontractor. Additional instructions for securing
authorization from the cognizant Contracting Officer are found in Section IX of this NOFO.
2. Non-DOE/NNSA FFRDCs
Non-DOE/NNSA FFRDCs are eligible to submit applications (either as a lead organization
or as a team member in a multi-institutional team) under this NOFO and may be proposed
as subrecipients under another organization’s application. If recommended for funding as a
lead applicant or a team member, funding will be provided through an interagency
agreement Award to the FFRDC’s sponsoring Federal Agency. If recommended for funding
as a proposed subrecipient, the value of the proposed subaward may be removed from the
prime applicant’s award and may be provided through an Inter-Agency Award to the
FFRDC’s sponsoring Federal Agency. Additional instructions for securing authorization
from the cognizant Contracting Officer are found in Section IX of this NOFO.
3. Other Federal Agencies
Other Federal Agencies are eligible to submit applications (either as a lead organization or
as a team member in a multi-institutional team) under this NOFO and may be proposed as
subrecipients under another organization’s application. If recommended for funding as a
lead applicant or a team member, funding will be provided through an interagency
1 Institutions that are not DOE/NNSA National Laboratories, a non-DOE/NNSA FFRDC, or another Federal
agency are not Federally affiliated, even if they receive Federal funds or perform work under a Federal award
or contract.
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agreement. If recommended for funding as a proposed subrecipient, the value of the
proposed subaward may be removed from the prime applicant’s award and may be provided
through an interagency agreement. Additional instructions for providing statutory
authorization are found in Section IX of this NOFO.
Notes for applicants of all types:
• Individual applicants are unlikely to possess the skills, abilities, and resources to
successfully accomplish the objectives of this NOFO. Individual applicants are
encouraged to address this concern in their applications and to demonstrate how they
will accomplish the objectives of this NOFO.
• Non-domestic applicants are advised that successful applications from non-domestic
applicants include a detailed demonstration of how the applicant possesses skills,
resources, and abilities that do not exist among potential domestic applicants.
This NOFO does not support an applicant’s commercial activity. This NOFO seeks to
support basic research to advance understanding rather than to address commercial
opportunities. Applications that propose research related to current commercial activity or
current customer needs may be declined without merit review. All for-profit applicants
must include a description, not to exceed 200 words of how their proposed work will
advance scientific understanding of a basic and fundamental nature as an appendix to the
Project Narrative.
B. Cost Sharing
Cost sharing for basic and fundamental research financial assistance awards is not required
pursuant to an exclusion from the requirements of Section 988 of the Energy Policy Act of
2005. For technology investment agreements, to the maximum extent practicable, non-
Federal parties carrying out a RD&D project under a TIA are to provide at least 50% cost
sharing.
Cost sharing is not required of DOE/NNSA National Laboratories, other Federal agencies,
another Federal agency’s FFRDC, or their subcontractors at any tier. DOE/NNSA National
Laboratories, other Federal agencies, and another Federal agency’s FFRDC may impose
cost-sharing requirements on their contractors subject to their policies and procedures.
Cost sharing will not be considered as a factor during merit review or award selection.
C. Eligible Individuals
Individuals with the skills, knowledge, and resources necessary to carry out the proposed
research as a Principal Investigator (PI) are invited to work with their organizations to
develop an application.
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III. Program Description
A. Purpose
The DOE SC program hereby announces its continuing interest in receiving applications for
support of work in the following program areas: Advanced Scientific Computing Research,
Basic Energy Sciences, Biological and Environmental Research, Fusion Energy Sciences,
High Energy Physics, Nuclear Physics, and Isotope R&D and Production. This NOFO is our
annual open solicitation that covers all research areas in SC and is open throughout the
Fiscal Year. Any research within SC’s Congressionally authorized mission may be proposed
under this NOFO.
SUPPLEMENTARY INFORMATION
1. Advanced Scientific Computing Research (ASCR)
(a) Applied Mathematics
(b) Computer Science
(c) Computational Partnerships
(d) Advanced Computing Technologies
2. Basic Energy Sciences (BES)
(a) Materials Chemistry
(b) Biomolecular Materials
(c) Synthesis and Processing Science
(d) Experimental Condensed Matter Physics
(e) Theoretical Condensed Matter Physics
(f) Physical Behavior of Materials
(g) Mechanical Behavior and Radiation Effects
(h) Quantum Information Science in Materials Sciences and Engineering
(i) X-ray Scattering
(j) Neutron Scattering
(k) Electron and Scanning Probe Microscopies
(l) Atomic, Molecular, and Optical Sciences
(m) Gas Phase Chemical Physics
(n) Computational and Theoretical Chemistry
(o) Condensed Phase and Interfacial Molecular Science
(p) Quantum Information Science Research in Chemical Sciences, Geosciences, and
Biosciences
(q) Catalysis Science
(r) Separation Science
(s) Heavy Element Chemistry
(t) Geosciences
(u) Photochemistry and Radiation Chemistry
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(v) Photosynthetic Systems
(w) Physical Biosciences
(x) BES Accelerator and Detector Research
3. Biological and Environmental Research (BER)
(a) Microbiome Research
(b) Atmospheric Process Research
(c) Environmental Systems Process Research
(d) Earth-Energy Systems Modeling
4. Fusion Energy Sciences (FES)
(a) Theory & Simulation
(b) Artificial Intelligence and Machine Learning for Fusion & Plasma Science
(c) Fusion Materials and Internal Components
(d) Toroidal Long Pulse
(e) Compact Toroidal Concepts
(f) Inertial Fusion Energy
(g) Measurement Innovation
(h) Closing the Fusion Cycle: Fusion Nuclear Science
(i) Closing the Fusion Cycle: Enabling Research and Development
(j) Plasma Science and Technology – General Plasma Science
(k) Plasma Science and Technology – High Energy Density Physics
(l) Plasma Science and Technology – Microelectronics Research
(m) Plasma Science and Technology – Quantum Information Science
(n) Public-Private Partnerships
5. High Energy Physics (HEP)
(a) Experimental Research at the Energy Frontier in High Energy Physics
(b) Experimental Research at the Intensity Frontier in High Energy Physics
(c) Experimental Research at the Cosmic Frontier in High Energy Physics
(d) Theoretical Research in High Energy Physics
(e) Accelerator Science and Technology R&D in High Energy Physics
(f) Instrumentation and Detector R&D in High Energy Physics
(g) Computational Research in High Energy Physics
(h) Quantum Information Science for High Energy Physics Research
(i) Accelerator Stewardship and Accelerator Development
6. Nuclear Physics (NP)
(a) Medium Energy Nuclear Physics
(b) Heavy Ion Nuclear Physics
(c) Nuclear Structure and Nuclear Astrophysics
(d) Fundamental Symmetries
(e) Nuclear Theory
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(f) Nuclear Data
(g) Nuclear Physics Computing
(h) Accelerator Research and Development for NP Facilities
(i) Artificial Intelligence and Machine Learning Applications
(j) Quantum Information Science for Nuclear Physics Research
(k) Generic Detector Research and Development
7. Isotope R&D and Production (IRP)
(a) Targetry and Isotope Production Research
(b) Nuclear and Radiochemical Separation, Purification and Radiochemical Synthesis
(c) Biological Tracers, Imaging, and Therapeutics
1. Advanced Scientific Computing Research (ASCR)
Program Website: https://science.osti.gov/ascr
The mission of the Advanced Scientific Computing Research (ASCR) program is to advance
applied mathematics and computer science, including artificial intelligence (AI) and
quantum information science (QIS); deliver the most sophisticated computational scientific
applications in partnership with disciplinary science; create first-of-a-kind advanced
computing and networking capabilities for the Nation; and develop future generations of
computing hardware and software tools for science and engineering in partnership with the
research community, including U.S. industry.
ASCR’s research and facilities investments increase the capability, versatility, and efficiency
of scientific computing through activities described by four thrusts:
• Breakthrough Tools and Technologies: ASCR enhances software, data processes, and AI
for increasingly complex or resource intense modeling and simulation, including
enabling the convergence of AI with QIS.
• Deep Understanding of AI and Physical Models: ASCR advances and enables knowledge
in core mathematical methods and algorithms that underlie all AI, modelling, and
simulation.
• Enabling High-precision Research and Development: ASCR focuses on concurrently
advancing applied math and computer science knowledge with disciplinary science in
critical areas such as fusion energy and material science.
• Hardware Innovation: ASCR increases the robustness of computing, including
underlying communication and energy needs, redefines the art of possible in
conventional computing, and leads the development of new emerging technologies.
ASCR supports cross-disciplinary research in which domains of scientific inquiry may
provide problems and data that provide use-cases for computer scientists and applied
mathematicians to devise generalized methods, models, algorithms and tools. ASCR’s
interest in these fields is not to solve the specific problems in other scientific domains but to
use those challenges to advance the state of the art and increase knowledge in its fields of
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research. ASCR advances key areas of computational science and discovery that support the
missions of SC through mutually beneficial partnerships.
The computing resources and high-speed networks required to meet SC needs exceed the
state-of- the-art by a significant margin. Furthermore, the system software, algorithms,
software tools and libraries, programming models and the distributed software
environments needed to accelerate scientific discovery through modeling and simulation
are often beyond the realm of commercial interest. To establish and maintain DOE’s
modeling and simulation leadership in scientific areas that are important to its mission,
ASCR operates leadership computing facilities, a high-performance production computing
center, research prototypes, and a high-speed network, implementing a broad base research
portfolio in applied mathematics, computer and network sciences, and computational
science to solve complex problems on computational resources at the exascale and beyond.
Further information on ASCR facilities can be found at:
https://science.osti.gov/ascr/Facilities.
For all ASCR subprograms: Submission of preliminary research descriptions (e.g., pre-
applications, concept papers) is strongly encouraged. They will be reviewed for
responsiveness of the proposed work to the research topics. You should send an email to a
subprogram contact for information regarding format and content.
The ASCR subprograms and their objectives follow:
(a) Applied Mathematics
This subprogram supports basic research leading to fundamental mathematical advances
and computational breakthroughs across DOE and SC missions. Important areas of basic
research include: (1) novel deterministic or randomized numerical methods for the scalable
solution of large-scale, linear and nonlinear systems of equations, including those solution
methods that take into consideration the possibilities brought about by future high
performance computing (HPC) architectures; (2) optimization techniques and next-
generation solvers; (3) numerical methods for modeling multiscale, multi-physics, or multi-
component continuous or discrete systems that span a wide range of time and length scales;
(4) methods of simulation and analysis of systems that account for the uncertainties of the
systems, or are inherently stochastic or uncertain; (5) innovative approaches for analyzing,
extracting insight from, or reducing large-scale data sets; and (6) foundational research in
scientific machine learning and artificial intelligence (AI) as a cross-cutting area of interest
for enabling greater adaptivity, automation, and predictive capabilities in scientific
computing.
Areas that are out of scope include:
• Topics not covered in the list of Applied Mathematics topics above, except with the
specific encouragement of an Applied Mathematics program manager in response to an
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emailed concept paper;
• Research and applications not motivated and justified in the context of current and
future SC user facilities, especially those supported by ASCR (i.e., Argonne Leadership
Computing Facility [ALCF], Oak Ridge Leadership Computing Facility [OLCF], and
National Energy Research Scientific Computing Center [NERSC]):
https://science.osti.gov/ascr/Facilities;
• Application-specific research. The Applied Mathematics program seeks research focused
on innovative and novel mathematics, not on existing mathematical techniques applied
to new applications. Innovative and novel mathematics appropriate for ASCR are
typically generalizable to multiple applications, and successful applications often
demonstrate such generalizability in the context of two or more applications; and
• Approaches that are not efficient and scalable for problems of increasingly high
dimensionality and computational complexity and that do not take advantage of current
and emerging high-performance computing architectures or ecosystems.
Notice of Submission Requirements for the Panel Review on the topic of Inverse
Methods for Complex Systems. ASCR held a basic-research-needs workshop on “Inverse
Methods for Complex Systems,” June 10-12, 2025, with the aim of identifying research
priorities in developing new algorithms and methods for solving inverse problems within
the mission space of the Department of Energy. For more information, see
https://www.orau.gov/InverseMethods. ASCR expects to convene a merit-review panel in
March 2026 for applications submitted in this area. Topics included discovery, utilization,
and preservation of structure, model limitations, multimodal data, goal-oriented inverse
problems, and scalable algorithms. Applicants are encouraged to consider the challenges
associated with massive and high-dimensional data. Successful applications will advance
knowledge in applied mathematics and will apply to multiple scientific domains. To be
considered by the panel, a pre-application must be submitted by November 14, 2025. A pre-
application may involve researchers from a single or multiple eligible institutions. Each pre-
application will be reviewed for responsiveness and competitiveness of the proposed
research. ASCR expects to provide pre-application encouragement and discouragement
decisions by December 15, 2025. To be reviewed by the panel, an application must be
associated with an encouraged pre-application, submitted by January 16, 2026, and request
no more than $1,000,000 per year in total across all institutions for a three-year award.
ASCR expects to make at most three awards.
Subprogram Contact:
• David Rabson, david.rabson@science.doe.gov
Website: https://science.osti.gov/ascr/Research/Applied-Mathematics
(b) Computer Science
The Computer Science research program supports research that enables computing and
networking at extreme scales and the understanding of extreme scale, or complex data from
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both simulations and experiments. It aims to make high performance scientific computers
and networks highly productive and efficient to solve scientific challenges while attempting
to reduce domain science application complexity as much as possible. The computer science
program does this in the context of sharp increases in the heterogeneity and complexity of
computing systems; the need to integrate simulation, data analysis, and other tasks
seamlessly and intelligently into coherent and usable workflows; and the challenges posed
by highly novel computing platforms, such as neuromorphic and quantum systems.
Priority interests for the program include the following. Applications are not restricted to a
single topic and may span several topics.
• Artificial intelligence (AI) for science:
ASCR supports the development of parallel, distributed, or federated algorithms and
new computational approaches for scientific AI. AI research under the Computer
Science topic may focus on optimization and scalability, especially in the context of next-
generation computing platforms for science, and the integration needed for enabling AI-
driven science and engineering workflows. Foundational AI research under the Applied
Mathematics topic (see section (a) above) investigates new modes of scientific machine
learning.
• Data analysis and visualization:
SC-supported researchers and facilities are generating large, complex, multi-modal data
at unprecedented rates. There is a need for advanced visualizations and visual analytics
tools for making sense of these data and making operational decisions. This program
solicits research to develop techniques for deriving and visualizing insights from large
scale and/or complex simulation, experimental, or observational data or combinations of
these as relevant to SC and DOE priority applications: visual analysis of high-
dimensional data at scale, data from multiple sources and of varying types, attributes
such as uncertainty, and data in the context of domain-specific knowledge; and visual
analytic approaches to understanding artificial intelligence/machine learning outcomes
or the state and behavior of a supercomputing system at scale. Also of interest are
machine learning or AI techniques for data analysis that are scalable, energy-efficient,
explainable, or involve knowledge extraction. Possible topics are highlighted in the
“Report for the ASCR Workshop on Visualization for Scientific Discovery, Decision-
Making, and Communication”, https://doi.org/10.2172/1845709.
• Continuum Computing:
Scientific computing will increasingly incorporate a number of different tasks that need
to be managed along with the main simulation or experimental tasks—for example,
ensemble analysis, data-driven science, artificial intelligence, machine learning,
surrogate modeling, and graph analytics. Many of these tasks will need to be executed
concurrently with simulations and experiments sharing the same computing resources.
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Continuum-computing capabilities can enable scientific discovery from a broad range of
data sources—i.e. HPC simulations, experiments, scientific instruments, and sensor
networks—over a wide scale of computing platforms: leadership-class HPC, clusters,
clouds, workstations, and devices at the edge. Continuum-computing capabilities can
also manage large data volumes from computations and experiments to minimize data
movement, save storage space, and boost resource efficiency—often while
simultaneously increasing scientific precision.
This program solicits research to advance continuum-computing capabilities to run on a
variety of computing platforms and at different length and time scales; to be automated
and controllable; to be more interoperable and composable; and to use provenance and
metadata for transparent results. This program also solicits co-designed research
activities for continuum computing as well as new management and coordination
algorithms.
• Storage Systems and I/O:
The success of the DOE computational, experimental, and observational sciences is
inextricably tied to the usability, performance, and reliability of emerging storage
systems and input/output (SSIO) technologies. Emerging technologies include storage
and networking devices, including those providing computational capabilities. SSIO
technologies involve the organization, movement, placement, and efficient retrieval of
data to enhance computation and discovery. This includes innovative interfaces and
management methods that allow for flexible, high-performance access to large data sets,
potentially federated across different kinds of memory, edge devices, and repositories,
capturing and management relevant usage statistics, provenance, and other metadata.
This program solicits research to improve SSIO capabilities that enable science
understandability and reproducibility; accelerate scientific discovery; enhance SSIO
usability, performance, and resilience; and improve efficiency and integrity of data
movement and storage. One particular focus of this program is to improve pipelines for
analysis-centric, data intensive workflows on HPC systems, and that use large-scale
storage. This program also solicits techniques and tools for advancing findable,
accessible, interoperable reusable (FAIR) data practices of management, archiving,
curation, and/or reuse, of data generated by experimental, observational, and simulation
relevant to SC mission areas. Additional areas of interest include combining of data
streaming and cloud storage uses for SC infrastructure as well as visualization needs at
the edge for SC experimental facilities. Possible topics are highlighted in the “Report for
the ASCR Workshop on the Management and Storage of Scientific Data”,
https://doi.org/10.2172/1845707.
• Programming Models, Environments, and Portability:
Innovative programming models for developing applications on next-generation
platforms, exploiting unprecedented parallelism, heterogeneity of memory systems (e.g.
non-uniform memory access [NUMA], non-coherent shared memory, high-bandwidth
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memory [HBM]), scratchpads, and heterogeneity of processing (e.g., graphics processing
units [GPUs], field- programmable gate arrays [FPGAs], coarse-grained reconfigurable
architectures [CGRAs], other types of accelerators, big-small cores, processing in
memory, and near memory, etc.), with particular emphasis on making it easier to
program at scale. Basic research on programming tools, for all phases of the software-
development cycle, are relevant, including but not limited to, design, implementation,
verification, optimization, and integration. Particularly welcome are methods that infuse
artificial intelligence/machine learning into the programming environment.
Work on programming models, environments, and portability is often informed by
considerations stemming from the collaborative nature of the modern scientific
enterprise. See the report, “Basic Research Needs in The Science of Scientific Software
Development and Use: Investment in Software is Investment in Science”,
https://doi.org/10.2172/1846009.
• Operating and Runtime Systems:
System software that provides intelligent, adaptive resource management and support
for highly-parallel software and workflow-management systems, and that facilitates
effective and efficient use of heterogeneous computing technologies, including diverse
execution models, processors, accelerators, memory, and storage systems. Target
workloads include modeling and simulation, data analysis, and the processing of large-
scale, streaming data from experiments.
• Performance Portability and Co-design:
Methods that support performance portability, which provides the ability to efficiently
use diverse kinds of hardware platforms with minimal changes to the application source
code, and/or hardware/software co-design, which is a method for designing and/or
adapting both hardware and software design as part of a holistic process. These methods
include automated and semi-automated refinements from high-level specification of an
application and/or hardware design to low-level code, optimized when compiled and/or,
for software, at runtime, to different HPC platforms. The focus is on enabling
performance portability of, and/or the design of future hardware for, applications
developed for extreme-scale computing and beyond. Possible topics are highlighted in,
“Reimagining Codesign for Advanced Scientific Computing: Report for the ASCR
Workshop on Reimagining Codesign”, https://doi.org/10.2172/1822199.
• Distributed Scheduling and Resource Management:
As scientific-computing resources are being called upon to support a wide variety of
workloads, including those that tightly integrate large-scale and ensemble simulation
and data-analysis workflows with experimental data collection and control, the
algorithms and implementations matching computational requirements to resources
need to scale to handle more tasks, more resources, and more-widely-distributed
resources. Specifically sought are methods for decentralized, resilient, secure resource
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management, scheduling, and coupled data transfer across widely distributed computing
facilities; and modeling of such distributed systems.
• Network-Offloaded Acceleration for Distributed/Parallel Computing:
Programmable and computation-enabled network interfaces present the opportunity to
exploit computational power closer to the network to complement the capabilities of
CPUs, GPUs, and other computational components. Note that the programmable
network interfaces include both edge accelerators as well as devices in core
interconnects in parallel platforms or transport planes in distributed settings.
Application behavioral information may be exploited, both in terms of dynamic learning
as well as mathematically predefined primitives such as distributed reductions and other
offloaded synchronization operations. New methods, algorithms, software, and
interfaces are needed to effectively exploit asynchronous and autonomous capabilities of
network hardware beyond traditional data-transfer functionalities. Of interest are new
conceptual approaches, algorithmic support, application programming interfaces, and
use cases in HPC scientific applications.
• Computer Science Fundamentals Accounting for Thermodynamics and Energy:
Unprecedented levels of modern computation, including areas such as artificial
intelligence and machine learning (AI/ML) training, have now made computation a very
large consumer of energy in the Nation and the world. Much of modern computer
science, and the understanding it provides regarding the fundamental properties of
algorithms, does not account for the underlying thermodynamic and information-
theoretic reality of computation. As “Beyond Moore” devices are explored along with
their corresponding ultra-efficient computer architectures, and the programming
paradigms appropriate for these new computing technologies, a better understanding is
needed of both potential ultra-efficient computer architectures and the energy-aware
properties of algorithms executed on them. Ultra-efficient computer architectures
include, but are not limited to, those based on reversible and asymptotically-adiabatic
approaches. Investigations combining thermodynamics and information theory,
computer architecture, reversible computing and algorithmic properties are sought to
advance our ability to design new, energy-efficient approaches to scientific computation.
• Memory-Aware Systems:
Advances in memory technologies are creating new opportunities and challenges where
it is unclear how to best introduce or abstract memory awareness and composition.
Memory is evolving in highly asymmetric and distributed directions, with new industry
standards greatly expanding memory sharing and capacities to much larger sizes, largely
in backward-compatible system architectures. Research is needed to uncover new
possibilities for solving larger scientific-computing problems with such highly
asymmetric and distributed memory architectures. Innovations in algorithms, software
interfaces, programming languages and models are needed to also effectively exploit new
processing-in-memory architectures that are emerging as a paradigm for scientific
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computing. Memory safety needs to be revisited in fundamental research on
programming languages, runtimes, and operating systems, considering the multi-
developer and shared nature of modern scientific programming eco-systems. The
smoothening of the spectrum from volatile to non-volatile memories needs to be
investigated for revisiting out-of-core algorithms to expand the limits of scientific
computing. On-the-fly compression and decompression needs investigation for
increasing the problem sizes without detriment to performance. The intersection of
machine learning (ML) with memory systems opens the potential for new solutions,
including smarter ML-informed cache prefetching and replacement policies potentially
customizable for specific scientific applications via signatures and other mechanisms.
• Quantum Computing:
Research to develop modules of end-to-end software toolchains aimed to program and
control quantum computing systems at scale. Possible topics include quantum
computing algorithms and the areas as presented in “Report for the ASCR Workshop on
Basic Research Needs in Quantum Computing and Networking,”
https://doi.org/10.2172/2001045.
Notice of Submission Requirements for the Panel Review on the topic “Quantum
error detection, prevention, protection, and correction protocols across the quantum
software stack” with specific emphasis of codesign of quantum algorithms for
applications within the DOE SC mission space. ASCR expects to convene a merit-review
panel in March 2026 for applications submitted in this area. To be considered by the
panel, a pre-application must be submitted by November 14, 2025. A pre-application
may involve researchers from a single or multiple eligible institutions. Each pre-
application will be reviewed for responsiveness and competitiveness of the proposed
research. ASCR expects to provide pre-application encouragement and discouragement
decisions by December 18, 2025. To be reviewed by the panel, an application must be
associated with an encouraged pre-application, submitted by January 28, 2026, and
request no more than $600,000 in total across all institutions for a two-year award. ASCR
expects to make at most three awards.
Contacts:
• Marco Fornari, marco.fornari@science.doe.gov
• Quantum Networking:
This topic involves innovative research in quantum networking concepts, systems, and
protocols by which quantum networking applies in scientific discovery, including, but
not limited to, distribution of quantum information from sensors, quantum networking
in support of interconnected or scalable quantum computing systems, and blind/cloud
quantum computing. Networking can span heterogeneous systems or homogeneous
systems (such as all-photonic) and parallel quantum processing (in co-located or local-
area settings) and distributed quantum communications (at metropolitan or wide-area
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scales). Possible topics include quantum networking areas as presented in “Report for
the ASCR Workshop on Basic Research Needs in Quantum Computing and
Networking,” https://doi.org/10.2172/2001045.
This program also supports:
• Participation in International Standardization:
Scientific computing relies on robust adoption of Voluntary Consensus Standards2
(VCSs) that are applicable to state-of-the-art computing technologies. Notably, most
applications running at the ASCR user facilities depend on some combination of
standardized programming languages and application programming interfaces (APIs),
and DOE contributes to many of them, including, but not limited to, the Message
Passing Interface (MPI), C, C++, Fortran, OpenMP, and SYCL. Moreover,
standardization is an important enabler of knowledge transfer from research to industry.
Similarly, the characterization of computing hardware relies on benchmarks established
through a VCS process, and these benchmarks drive industry decisions affecting what
capabilities ASCR user facilities can provide. Such benchmarks include, but are not
limited to, SPEC CPU/ACCEL and MLPerf. VCSs and benchmarks relevant to data,
artificial intelligence and machine learning, quantum computing, software, and
hardware interfaces are all in scope.
The development of standards relies on robust participation from a broad spectrum of
Stakeholders, and the program supports maintaining and broadening participation in
standards development. Standards development benefits from the participation of
laboratory and university researchers in addition to experts from businesses of all sizes.
Funding may support training on standards development and leadership, travel to
relevant meetings, the hosting of relevant meetings, the development of applications for,
and associated prototypes of, new standardized functionalities, and any Standards
Development Activity3. Particularly welcome are activities supporting US leadership in
standards development and activities including a specific focus on broadening
participation from experts from traditionally underrepresented groups, academic
institutions, small businesses, and others who may face higher participation barriers.
Topics that are out of scope for Computer Science include:
• Topics not covered in the list of Computer Science Priority Interests, above, except with
2 Voluntary Consensus Standards are “Standards [that] are developed through a process that is open to
participation by representatives of all interested parties, transparent, consensus-based, and subject to due
process. These might be developed by governmental organization or private sector groups such as the
American Society for Testing and Materials (ASTM) or the International Organization for Standardization
(ISO).” See https://www.directives.doe.gov/terms_definitions/voluntary-consensus-standard; for additional
discussion, see Office of Management and Budget Circular Number A-119,
https://www.nist.gov/system/files/revised_circular_a-119_as_of_01-22-2016.pdf.
3 Standards Development Activity is defined in 15 USC § 4301(a)(7). See
https://www.govinfo.gov/app/details/USCODE-2015-title15/USCODE-2015-title15-chap69-sec4301/summary
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the specific encouragement of a Computer Science program manager in response to an
emailed concept paper;
• Research with primary emphasis on resilient solvers, and/or new development of
machine probabilistic methods and their mathematical formalism;
• Research aimed at advancing computer-supported collaboration, social computing, and
generalized research in human-computer interaction;
• Discipline-specific data analytics and informatics without a clear articulation of how the
research will generalize to other disciplines and/or advance computer-science
capabilities;
• Research focused on the World Wide Web, the dark web, and/or data about it;
• Research that is primarily to advance cloud computing, hand-held, portable, desktop,
and/or embedded computing that is not applicable to ASCR-supported computational
and data science environments;
• Research and applications not motivated and justified in the context of current and
future SC user facilities, especially those supported by ASCR (i.e., Argonne Leadership
Computing Facility or ALCF, Oak Ridge Leadership Computing Facility or OLCF, and
National Energy Research Scientific Computing Center or NERSC):
https://science.osti.gov/ascr/Facilities;
• Development of new candidate physical qubit systems and improvements to physical
qubits; and
• Quantum key distribution, quantum cryptography and cryptanalysis.
Submission of preliminary research descriptions (e.g., pre-applications, concept papers) is
strongly encouraged. They will be reviewed for responsiveness of the proposed work to the
research topics. You must send an email to a subprogram contact for information regarding
format and content.
Subprogram Contacts:
• Xujing Davis, xujing.davis@science.doe.gov: artificial intelligence and machine learning
for science, data analysis and visualization
• Xujing Davis, xujing.davis@science.doe.gov: Storage Systems and I/O (SSIO);
programming models, environments, and portability; operating and runtime systems;
performance portability and co-design; distributed scheduling and resource
management
• Xujing Davis, xujing.davis@science.doe.gov: Continuum computing
• David Rabson, david.rabson@science.doe.gov: Network-Offloaded Acceleration for
Distributed/Parallel Computing, Computer Science Fundamentals Accounting for
Thermodynamics and Energy, Memory-Aware Systems
• Marco Fornari, marco.fornari@science.doe.gov: Quantum Computing and Quantum
Networking
• Xujing Davis, xujing.davis@science.doe.gov: activities supporting career development,
and broadening participation, in computer-science research
• Hal Finkel, hal.finkel@science.doe.gov: participation in international standardization
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Website: https://science.osti.gov/ascr/Research/Computer-Science;
https://science.osti.gov/ascr/Community-Resources/Program-Documents
(c) Computational Partnerships
This activity primarily supports the Scientific Discovery through Advanced Computing
(SciDAC), program, which is a recognized leader for the employment of HPC for scientific
discovery. Established in 2001, SciDAC involves ASCR partnerships with the other SC
programs, other DOE program offices, and other federal agencies in strategic areas with a
goal to dramatically accelerate progress in scientific computing through strong
collaborations between discipline scientists, applied mathematicians, and computer
scientists. For examples of current SciDAC partnerships, refer to the website
https://www.scidac.gov.
Applications to SciDAC that involve software products should demonstrate the need for the
software being developed in one or more scientific communities and should address both
the dissemination of the software and the strategy for the software’s long-term sustainability
after the end of the proposed activities.
Other partnerships between discipline scientists, applied mathematicians, and computer
scientists are also supported.
Subprogram Contacts:
• Xujing Davis, xujing.davis@science.doe.gov and Marco Fornari,
marco.fornari@science.doe.gov, SciDAC Institutes
• Marco Fornari, marco.fornari@science.doe.gov, David Rabson,
david.rabson@science.doe.gov, and Xiaofeng Guo, xiaofeng.guo@science.doe.gov,
SciDAC and other partnerships
Website: https://science.osti.gov/ascr/Research/scidac
(d) Advanced Computing Technologies
This activity supports the Research and Evaluation of Prototypes (REP), including in
quantum computing and networking. The REP activity addresses the challenges of next
generation computing systems. By actively partnering with the research community,
including industry and Federal agencies, on the development of technologies that enable
next-generation machines, ASCR ensures that commercially available architectures serve
the needs of the scientific community. The REP activity also prepares researchers to
effectively use future generation of scientific computers, including novel technologies, and
seeks to reduce risk for future major procurements.
Additionally, this subprogram provides graduate research training for the next generation of
scientists as well as activities supporting career development, and broadening participation,
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in high-end computational science.
Research topics currently of interest for Advanced Computing Technologies (ACT) include:
• Research focused on information processing and computation systems for emerging
computing technologies (including quantum computing and networking technologies)
which aim to enable testbed use, including hardware architectures, accelerators,
development of programming environments, languages, libraries, compilers, simulators
and other modeling tools, and research and development on their algorithms for
physical simulation and capability assessment.
• Neuromorphic computing: Specific to HPC-enabled modeling and simulation of
computing architecture at extreme scales for generalizable applications of the proposed
approach and for the prototyping and fabrication of advanced neuromorphic computing
architectures.
• Microelectronics for scientific computing, including innovative methods for processor
synthesis, placement, architectures, and algorithms. Especially of interest are multi-
disciplinary co-design projects where each scientific discipline informs and engages the
other to achieve orders of magnitude improvements in system-level performance.
• Advanced Wireless Networks: Next generation wireless networks could enable scientific
facilities to become more mobile, remotely manageable, and distributed. Breakthroughs
in new software frameworks, tools, and approaches are needed to broaden and extend
those wireless networks into existing or new scientific domains. By leveraging next-
generation advanced wireless technology and microelectronics, we can build the tools,
applications, and infrastructure needed to explore, understand, and harness new
scientific discoveries.
• The maintenance and improvement of the software ecosystem, including that developed
through the Exascale Computing Project (ECP), which provides shared software
packages, novel evaluation systems, and applications relevant to the science and
engineering requirements of DOE, in order that the full potential of the current and
future computing systems deployed by DOE can be continuously realized.
• Robotics and Scientific Discovery Automation: Development and prototyping of
autonomous and semi-autonomous robotic systems tightly integrated with AI/ML, high-
performance computing, and real-time sensor data to enable closed-loop
experimentation and laboratory automation at scale. Areas of interest include creation
and use of robotics-enabled testbeds, adaptive autonomy for unstructured or hazardous
environments, and physics-based digital twins of laboratory systems and instruments for
risk-aware planning, simulation, and real-time decision support. Work may also involve
edge–cloud orchestration, federated learning across distributed laboratory assets, and
methods for ensuring trustworthy autonomy, reproducibility, and provenance in
experiment-centric workflows. Efforts should demonstrate broad applicability across
DOE Office of Science domains, with the potential to accelerate the planning, execution,
and interpretation of experiments in support of DOE missions.
Proposed research in quantum computing should focus on applications of quantum
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computing relevant to SC and on devices that are already available or that become available
during the term of the award rather than large-scale, high-fidelity, fault-tolerant machines.
Topics that are out of scope include:
• Research that does not address the specific ACT topics described above;
• Development of new candidate qubit systems or improvements to physical qubits;
• Cryptography and cryptanalysis; and
• Projects that are duplicative of, or competitive with, industry efforts.
Submission of preliminary research descriptions (e.g., pre-applications, concept papers) is
strongly encouraged. They will be reviewed for responsiveness of the proposed work to the
research topics. Send an email to a subprogram contact for information regarding format
and content.
Subprogram Contacts:
• Robinson Pino, robinson.pino@science.doe.gov, neuromorphic, heterogeneous
computing architectures, and advanced wireless networks
• Robinson Pino, robinson.pino@science.doe.gov and David Rabson,
david.rabson@science.doe.gov, microelectronics
• Pavel Lougovski, pavel.lougovki@science.doe.gov, Marco Fornari,
marco.fornari@science.doe.gov, quantum information research
• David Rabson, david.rabson@science.doe.gov; Robinson Pino,
robinson.pino@science.doe.gov, maintenance and improvement of the software
ecosystem
• David Rabson, david.rabson@science.doe.gov, Graduate research training and
broadening participation
Website: https://science.osti.gov/ascr/
2. Basic Energy Sciences (BES)
Program Website: https://science.osti.gov/bes/
The mission of the Basic Energy Sciences (BES) program is to support fundamental research
to understand, predict, and ultimately control matter and energy at the electronic, atomic,
and molecular levels, generating knowledge that can enable development of energy
technologies critical to the Nation’s economic and national security. BES research provides
scientific foundations for DOE missions in energy, environment, and national security. The
portfolio supports fundamental research in materials sciences, chemistry, geosciences, and
biosciences. The BES website listed above includes more detailed information such as
descriptions of program areas, workshop reports that address future directions, and
Principal Investigator (PI) meeting summaries.
The following web pages are listed for convenience:
• BES Workshop Reports: http://science.osti.gov/bes/community-resources/reports/
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• Materials Sciences and Engineering Division PI Meetings:
http://science.osti.gov/bes/mse/principal-investigators-meetings/
• Chemical Sciences, Geosciences, and Biosciences Division PI Meetings:
http://science.osti.gov/bes/csgb/principal-investigators-meetings/
• Scientific User Facilities Division web page: http://science.osti.gov/bes/suf/
Proposed research must be responsive to a supported topic in one of the core research areas
listed in this document.
Notes For Applicants:
• Prior to submission, applicants are encouraged to discuss their research ideas with the
subprogram contacts listed below. While not required, white papers/pre-applications are
strongly encouraged.
• Some core research areas indicate target dates for pre-applications and/or applications.
These dates are not hard deadlines and applications are accepted throughout the fiscal
year for all BES core research areas in this NOFO. The target dates reflect the time
needed to conduct the review and recommendation process for support with funds from
this fiscal year. Applications submitted after a target date are not guaranteed
consideration for funding this fiscal year. If not considered this fiscal year, applications
will be held for consideration in a future selection cycle.
• Applications submitted to BES through this NOFO typically have Project Narratives that
are 15 – 20 pages long. If applicants feel that additional pages are needed for the Project
Narrative, they should discuss the requested increase with the relevant subprogram
contact listed in this NOFO prior to submission.
• Recordings and slides from past BES and SC events provide an opportunity to learn
about BES and SC programs and can be found at
https://science.osti.gov/bes/officehours.
• Resources about Data Management and Sharing Plans are available at
https://science.osti.gov/funding-opportunities/digital-data-management.
The BES divisions, program areas, and their objectives follow:
Materials Sciences and Engineering
Division Website: https://science.osti.gov/bes/mse
The Materials Sciences and Engineering (MSE) Division supports fundamental
experimental, theoretical, and computational research to provide the knowledge base for the
discovery, design, characterization, and control of materials with novel structures,
functions, and properties. This knowledge serves as a basis for the development of new
materials for energy and national priorities. The MSE portfolio consists of the core research
areas listed below.
(a) Materials Chemistry
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This program supports hypothesis-driven research on materials with a focus on the role of
chemical reactivity, chemical transformation, and chemical dynamics on the material
composition, structure, function, and lifetime across the range of length scales from atomic
to mesoscopic. Discovery of the mechanistic detail for chemical synthesis, transformations
and dynamics of materials, fundamental understanding of structure-property relationships
of functional materials, and utilization of chemistry to control interfacial properties and
interactions between materials are common themes.
Major scientific areas of interest include: (1) Fundamental aspects of chemical synthesis,
including covalent and non-covalent assembly of materials from molecular-scale building
blocks and macromolecular-to-macromolecular transformations; (2) Synthesis and
characterization of new classes of materials including hierarchical materials or other
innovative assemblies of matter with novel functionality; (3) Exploitation of extreme and/or
non-equilibrium conditions leading to new materials discovery; (4) Control of interphase
chemistry and morphology; (5) Fundamental electrochemistry and related charge transport
in materials; (6) Chemical dynamics and transformations of functional materials in
operational environments; and (7) Development of new tools and techniques for the
elucidation of chemical processes in materials, particularly in situ or operando studies of
materials in energy-relevant environments.
Specific topics of interest are aligned with recent BES roundtable and workshop reports and
include novel approaches to the chemical conversion of polymers, fundamental
investigations of rare earth compounds and other critical materials leading to earth-
abundant alternatives, discovery of materials with spin-selective electronic functionality,
and new approaches to materials discovery using data-driven science such as AI/ML.
Research will not be supported if it is primarily aimed at optimization of properties of
materials for specific applications, optimization of synthetic methods (including non-
science-based scale-up research), device fabrication and testing, or synthesis of small
molecules. Applications focused on the elucidation of mechanisms of catalytic reactions,
particularly with single-site or single-atom catalysts, will not be supported.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Christopher Chervin, christopher.chervin@science.doe.gov
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• Craig Henderson, craig.henderson@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Materials-Chemistry
(b) Biomolecular Materials
This program supports fundamental materials science research for discovery, design and
synthesis of functional materials based on principles and concepts of biology. Nature
provides a blueprint for organizing and manipulating matter, energy, entropy, and
information across multiple length scales to build material systems that display complex yet
well-coordinated collective behavior. The major programmatic direction is on the science-
driven creation of materials and multiscale systems that exhibit well-coordinated
functionality and information content approaching that of biological materials but capable
of functioning under non-biological environments. We seek innovative fundamental science
approaches for co-design and scalable synthesis of materials that coherently and actively
manage multiple complex and simultaneous functions and tolerate abuse through
autonomous repair and regrowth. New synthetic approaches and unconventional assembly
pathways are sought to accelerate the discovery/design of materials. An area of emphasis
will be activities to understand and control assembly mechanisms to seamlessly integrate
capabilities developed for one length scale across multiple length scales as the material is
constructed with real-time adaptive control. Included is the development of predictive
models and data-driven approaches that accelerate materials discovery/design and support
fundamental science to enable energy efficient scalable synthesis.
Major scientific areas of interest are: 1) novel self-, directed-, and/or dissipative assembly
pathways to form resilient materials with self-regulating capabilities such as
reconfigurability and self-healing; 2) design and control of active matter through
incorporation of non-equilibrium information and signaling processing; 3) management of
precise functional group positioning and component interactions across multiple time and
length scales; 4) design of biological molecules and/or bio-hybrid hierarchical structures for
novel function in non-biological environments; and 5) design and creation of next-
generation materials that emulate nature’s highly efficient mechanisms for programmable
selectivity and active energy management.
The program will not support projects that lack a clear focus on fundamental materials
science or are aimed at optimization of materials properties for any applications, device
fabrication, sensor development, tissue engineering, understanding of underlying biological
synthetic or assembly processes, biological research, or biomedical research.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
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funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Aura Gimm, aura.gimm@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Biomolecular-Materials
(c) Synthesis and Processing Science
This program supports research to understand the physical phenomena and unifying
principles that underpin materials synthesis and processing across multiple length scales.
Some of these phenomena include diffusion, nucleation, and phase transitions as well as the
role imperfections and interfaces play in the emergence of materials functionality. The
emphasis is on hypothesis-based fundamental research that enables discovery of new
materials, from quantum to bulk dimensionalities, with targeted composition, structure, and
function. Applications that creatively couple physical synthesis and/or processing
techniques with computational/theory approaches (i.e. AI/ML) are encouraged.
Programmatic priorities include (1) the synthesis of controlled complex thin films,
nanoscale materials, and other low dimensional systems with atomic precision, (2)
preparation techniques for pristine single crystal and bulk materials with novel physical
properties, (3) understanding the contributions of precursor and intermediate states to the
processing of bulk nanoscale materials, (4) exploring the underlying mechanisms for the
selective growth and ordering for nanoscale to mesoscale structures. This research area
supports DOE’s mission in the synthesis of 2D and wide bandgap materials as
semiconductors for microelectronics, light-weight metallic alloys for efficient transportation,
novel materials such as metal organic frameworks, high-entropy systems, structural
ceramics, critical materials replacements, and the development of materials and processes
for transformative manufacturing. The program also is interested in understanding complex
synthesis and processing relationships, for example time-temperature-transformation
diagrams (TTT), transition state surfaces, or the effect of substrate (stress/strain) or
precursor (kinetic energy/structure) states on film growth. Additionally, projects
emphasizing the development of real-time diagnostic tools and characterization techniques
to understand the fundamental science of nucleation and structure/composition for atomic
level control, and computational approaches bridging multiple timescales are encouraged.
Topics targeted for increased emphasis are emerging areas of research that include (1) meta-
stable intermediates for phase and composition transformations, (2) the role of localized
external fields in directing growth processes, (3) the direct conversion of natural minerals or
end-of-life materials into new functional alternatives, and (4) control over defects/disorder
in film, single crystal, and bulk synthesis. Projects aimed at controlling synthesis to direct
optimization or engineering of properties will be de-emphasized. In addition, research will
not be supported that focuses primarily on optimization of properties of materials for
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specific applications, device fabrication, device development, or any optimization based on
known processing or synthesis principles.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Shawn Chen, shawn.chen@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Synthesis-and-Processing-
Science
(d) Experimental Condensed Matter Physics
The Experimental Condensed Matter Physics (ECMP) program supports research that will
advance our fundamental understanding of the quantum physics governing the electronic
structure of complex solid materials and will allow us to achieve new materials
functionalities through manipulation and control of collective excitations and
quasiparticles. ECMP funds studies of novel magnetic, ferroelectric, charge ordering,
nonlinear optical, superconducting, and topological properties known to emerge from the
interplay of various interactions and degrees of freedom, as well as away from equilibrium
in transient or metastable states. ECMP supports design, synthesis, and characterization of
material systems whose electronic properties derive from quantum effects and cannot be
described by classical paradigms. Also supported is the development of new experimental
tools and techniques that enable the measurement of observables associated with the exotic
states found in these quantum materials. The incorporation of computational tools and
scientific machine learning algorithms is encouraged in order to advance experimental
predictions and validations.
Projects should aim at achieving fundamental understanding of key principles that could be
the foundation for transformational quantum technologies (topological quantum
computing, sensing, or transduction) and/or next-generation, energy-efficient
microelectronics (quantum magnonics, spintronics, and non-von Neumann electronic
circuit elements). This program also supports research to reduce or eliminate critical
materials and minerals while maintaining functionality in a wide range of energy
technologies.
New collaborative opportunities:
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(1) In addition to regular applications, ECMP encourages jointly supported, multi-
investigator applications aimed at developing new AI/ML methodologies tightly
integrated with experimental results to address great challenges in one of the scientific
themes listed above. These projects will involve both experimental and computational
components and may be co-funded by ECMP and the Theoretical Condensed Matter
Physics (TCMP) program. Applications must focus on physics-aware AI systems with
embedded domain-specific knowledge. The AI models to be developed must address
explainability, interpretability, and reliability. For the experimental component, while
applications may incorporate existing data or simulations, a significant portion of the
experimental dataset used in the AI/ML workflow must be generated within the scope of
the proposed project to ensure close alignment between modeling and measurement.
Prior to submission of a pre-application, these applications must be discussed with this
subprogram contacts of ECMP and Theoretical Condensed Matter Physics (see research
area (e) below). Applications focused on validating models on existing or simulated data,
or on the application of existing AI tools will not be considered.
(2) ECMP is also soliciting collaborative applications for combined experimental and
theoretical studies of the interaction between the electron spin and chiral symmetry in
molecules, hybrid (organic-inorganic), and/or inorganic materials. Prior to submission,
multiple investigator collaborative research ideas should be discussed with the
subprogram contacts of ECMP and the relevant participating program(s): Theoretical
Condensed Matter Physics (see research area (e) below), Computational and Theoretical
Chemistry (see research area (n) below), and Condensed Phase and Interfacial
Molecular Science (see research area (o) below).
Areas of decreasing emphasis for the program include 3D heavy fermion (non-topological)
superconductivity, cuprate superconductivity, and 2D electron and hole gases in
conventional semiconductors. Research focused on studies of materials’ microstructure to
enhance materials’ performance, either structural or electronic, will not be supported.
Additionally, the program will not consider applications on cold atom physics, conventional
superconductivity, bulk semiconductor physics (e.g., Si, GaAs), device development,
materials property optimization, and/or incremental optimization of known phenomena.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Research ideas involving multiple principal investigators should be discussed with the
subprogram contacts before submitting a pre-application.
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Subprogram Contacts:
• Claudia Cantoni, claudia.cantoni@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Experimental-Condensed-
Matter-Physics
(e) Theoretical Condensed Matter Physics
The Theoretical Condensed Matter Physics (TCMP) program supports fundamental
research in theoretical condensed matter physics advancing our understanding of quantum
materials, driving materials discovery and design, and leading to novel materials theory
related to DOE missions. It includes research predicting and interpreting emerging
quantum phenomena, and out-of-equilibrium quantum dynamics, including driven and
many-body quantum-dynamics. Research spans from analytical to computational
approaches with strong emphasis on theory, methods, and technique development. This
includes the computational design of quantum materials with atomic precision and the
development of innovative physics-guided artificial intelligence (AI) approaches to
accelerate fundamental research.
Scientific topics funded in the program cover electron- and spin-correlations,
superconductivity, quantum magnetism, including altermagnetism, topological states of
matter, exotic states of matter including spin liquids, quantum phases of matter,
multiferroicity or ferroelectricity, excited states phenomena, as well as the discovery and
design of functional materials. The latter includes functional materials to reduce or
eliminate the need of critical materials/minerals, to revolutionize computing, memory
and/or data storage, or to transform power conversion.
Growth areas focus on:
Growth Area A: Artificial intelligence for science. Artificial intelligence (AI) including
machine learning (ML) is a fast-growing area with unprecedented opportunities to
accelerate, enhance, and transform condensed matter physics research. Applications must
focus on physics-aware AI systems with embedded domain-specific knowledge. To bridge
the gap between purely data-driven AI models and domain-driven scientific models, the
developed AI model must address explainability, interpretability, and reliability.
Applications focusing on novel AI models are encouraged. Applications primarily focused
on data generation, or the application of existing AI tools will not be considered.
Growth Area B: Materials exploiting quantum interactions. Quantum interactions in many-
body systems refer to the interactions between quantum particles, quasiparticles, or
quantum particles and quasiparticles. Examples are electron-electron, electron-phonon,
electron-photon, phonon-magnon, and spin-spin interactions. Applications must focus on
the exploitation of the complex interplay of quantum interactions to create emerging
quantum properties. Applications targeting chiral interactions or quantum interactions
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leading to novel chiral effects are also encouraged.
Applications must be hypothesis driven or address specific, challenging scientific questions.
All applications must make clear connections to condensed matter physics.
New Collaborative Opportunities:
(1) Collaborative applications in growth area A involving experimental components are also
encouraged but must be discussed with the subprogram contacts of TCMP and the
Experimental Condensed Matter Physics subprogram (see research area (d) above)
before submitting a pre-application.
(2) Collaborative applications on chirality in growth area B involving experimental or
quantum chemistry aspects are also encouraged but must be discussed with the
subprogram contacts of TCMP and the relevant participating subprogram(s), which are
Experimental Condensed Matter Physics (see research area (d) above), Physical Behavior
of Materials (see research area (f) below), Computational and Theoretical Chemistry (see
research area (n) below), or Condensed Phase and Interfacial Molecular Science (see
research area (o) below).
Areas of decreasing emphasis include quantum phase transitions, fractional quantum Hall
effect, wide bandgap and conventional semiconductors. Applications with a strong focus on
high-throughput calculations, the application of standard AI/ML-tools, and/or machine-
learned interatomic potentials are of declining interest.
Research will not be supported on soft matter, polymers, glasses, granular materials, cold
atoms classical transport, classical molecular dynamics, and optimization of physical
properties.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Research ideas involving multiple principal investigators should be discussed with the
subprogram contacts before submitting a pre-application.
Subprogram Contacts:
• Matthias Graf, matthias.graf@science.doe.gov
• Claudia Mewes, claudia.mewes@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Theoretical-Condensed-Matter-
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Physics
(f) Physical Behavior of Materials
The Physical Behavior of Materials (PBM) program supports fundamental research that
advances understanding of the intrinsic processes that take place in materials and in
response to external stimuli. These stimuli include, but are not limited to, temperature,
pressure, mechanical strain, electromagnetic fields, structural disorder, chemical doping,
and the interface-induced proximity effects. The program emphasizes research on the
structure-property relationships governing the physical behavior of materials. This includes
understanding how atomic structure and defects result in semiconducting, superconducting,
and magnetic properties, as well as novel diffusion and transport phenomena. Projects
within the program currently explore the physical behavior of material systems such as two-
dimensional (2D) materials and heterostructures, spintronics and magnetics, plasmonics,
nanophotonics, and other complex and disordered systems. Key thematic research thrusts
include: (1) Electron transport and superconductivity; (2) Behavior of quantum and
topological materials; (3) Light-matter interactions; (4) Spin, charge, and thermal transport
in materials; and (5) Structure- and nano-enabled behaviors.
This year, the program emphasizes fundamental research in nonlinear optics and opto-
spintronics. Of particular interest are light-matter interactions occurring on magnetically
ordered semiconducting van der Waals materials that demonstrate sensitivity to external
stimuli and hold potential for use in atomically thin opto-spintronic device architectures.
Research exploring the interplay between optical and exciton-magnon interactions should
include a robust spin- and charge-based characterization component.
New Collaborative Opportunities: PBM is also soliciting collaborative research that
combines experimental and theoretical efforts on chiral-induced phenomena in materials
for photonics and opto-spintronics. Prior to the submission of a pre-application, these
projects must be discussed with subprogram contacts of PBM and the relevant participating
subprogram(s): Theoretical Condensed Matter Physics (see research area (e) above),
Computational and Theoretical Chemistry (see research area (n) below) or Condensed
Phase and Interfacial Molecular Science (see research area (o) below).
Areas of de-emphasis in the program include materials for energy storage, conventional
semiconductor physics, topological systems (topics covered by the Experimental Condensed
Matter Physics program), and research focused on theory and modeling of defects in crystals
and their influence on the structural properties of materials (topics covered by the
Mechanical Behavior and Radiation Effects program).
Applications must be hypothesis-driven or directly address specific scientific challenges.
Applications solely focused on materials synthesis, materials discovery, theory and software
development, or the optimization of materials and their properties for specific device
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applications (e.g. neuromorphic computing, non-volatile memory, and high-frequency
devices) are excluded.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contacts:
• Tim Mewes, tim.mewes@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Physical-Behavior-of-Materials
(g) Mechanical Behavior and Radiation Effects
This program supports basic research to understand defects in materials and their effects on
the properties such as strength, structure, deformation, and failure. Defect formation,
growth, migration, and propagation are examined by coordinated experimental and
modeling efforts over a wide range of spatial and temporal scales as well as a range of
environments and stimuli. Topics include deformation of nanostructured materials,
fundamentals of radiation damage, corrosion/stress-corrosion cracking in conjunction with
radiation or stress, and research that would lead to microstructural design for tailored
strength, radiation response, formability, and fracture resistance in energy-relevant
materials. In addition to traditional structural materials, this program will also support
research to understand fundamental deformation and failure mechanisms of other materials
used in energy systems (e.g., polymers, membranes, coating materials, electrodes). Within
these areas, research on topics such as driven systems, new materials and non-linear
cooperative phenomena (multiple inputs, e.g. radiation + stress + corrosion) are of interest.
There will be an increased emphasis in the program on research to understand defect
evolution in materials in radiation environments. Applicants focusing on radiation effects
are encouraged to consider the priority research directions and priority research
opportunities in the reports from the 2017 Basic Research Needs Workshop for Nuclear
Energy and the 2022 Roundtable on Foundational Science to Accelerate Nuclear Energy
Innovation. Of particular interest to this program overall are applications that take
advantage of advanced synthesis methods to create tailored structures that better isolate
mechanisms, high-performance computing and data science techniques, and advanced
characterization techniques such as neutron or x-ray scattering. These fundamental science
efforts should be related to DOE’s mission areas.
Research will not be supported if it is primarily aimed at optimization of properties of
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materials for specific applications or focused on developing simple structure-property
correlations. Applications emphasizing high-strain-rate deformation, high-dose radiation, or
mechanics of materials (rather than materials science) will not be considered responsive.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• John Vetrano, john.vetrano@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Mechanical-Behavior-and-
Radiation-Effects
(h) Quantum Information Science in Materials Sciences and Engineering
This research program focuses on Materials Sciences and Engineering, investigating the
fundamental material properties that are essential for Quantum Information Science (QIS)
and enable advanced QIS technologies. Within the Basic Energy Sciences, this program
crosscuts the three MSE Division research areas - Materials Discovery, Design, and
Synthesis; Condensed Matter and Materials Physics; Scattering and Instrumentation
Sciences. This program encompasses topics described in BES Roundtable: Opportunities for
Basic Research for Next-Generation Quantum Systems and BES Roundtable on
Opportunities for Quantum Computing in Chemical and Materials Sciences reports.
This QIS program in MSE focuses on advanced materials that support quantum state
stability and control. This program aims to create and control entanglement in multi-level
quantum systems (including qubits or qudits) to enable precise measurement of individual
quantum elements while mitigating decoherence – a significant obstacle to reliable
quantum computing and other quantum technologies such as networking and sensing.
Applications must focus on fundamental materials research in QIS, specifically addressing
priority area(s) identified by the BES Roundtable reports. Researchers should utilize cutting-
edge fabrication and measurement techniques, such as those available at BES User
Facilities. Collaborative and multi-disciplinary teams are encouraged. Projects with an
exclusive focus on fabrication, device development, or hardware optimization, will be
discouraged. Areas of decreasing emphasis in Fiscal Year 2026 are molecular and
topological systems.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
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2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Athena Sefat, athena.sefat@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Quantum-Information-Science
(i) X-Ray Scattering
This program supports basic research on the fundamental interactions of photons with
matter to achieve an understanding of atomic, electronic, and magnetic structures and
excitations and their relationships to materials properties, including the dynamics of
quantum phenomena. The main emphasis is on x-ray scattering, spectroscopy, and imaging
research, primarily at major BES-supported user facilities. Instrumentation development
and experimental research in ultrafast materials science, across the full electromagnetic
spectrum, is an integral part of the portfolio. This includes research aimed at manipulating
and detecting ultrafast transient physical phenomena in materials, especially at excitation
levels consistent with quantum phenomena and controlled energy conversion and transport.
Advances in x-ray scattering and ultrafast sciences will continue to be driven by scientific
opportunities presented by improved source performance and optimized instrumentation,
especially with the advent of improved synchrotron coherence and free electron laser
sources. The x-ray scattering activity will expand current capabilities at the DOE facilities by
providing support for independent external researchers who motivate and lead new
instrumentation and technique development at those facilities. For example, research is
sought that will take advantage of unprecedented levels of coherent brightness and of
controlled timing structures at upgraded light source facilities.
New investments in ultrafast science will emphasize development of novel ultrafast
techniques and focus on research that uses radiation sources associated with BES facilities
and beamlines. New pump schemes to manipulate dynamic states of quantum materials will
be supported, especially those which can be adapted to x-ray free-electron laser and ultrafast
electron diffraction probe environments. Additionally, new approaches to improve the
collection, processing and analysis of large data sets obtained with high repetition-rate
pulsed sources or with fast multi-mega-pixel detector arrays are encouraged under the cross-
cutting emerging domain of Data Sciences.
Novel X-ray techniques are sought that enable detailed investigations of the fundamental
dynamic mechanisms of energy conversion systems and their active material components.
This involves the interaction of complexity at atomic to mesoscopic length scales and
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requires the development of multimodal experimental techniques that examine the same
active sample positions, in place and under operational boundary conditions. Of particular
emphasis for new energy saving quantum computation is the in-place study of the evolution
of quantum properties and phase transitions at the shortest relevant time scales.
The program will not support research considered “mature use” of existing x-ray or ultrafast
techniques. Typically, the emphasis on new techniques enables new access to
inhomogeneous and dynamic systems and therefore the program will de-emphasize steady-
state research of bulk and equilibrium systems.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Helen Kerch, helen.kerch@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/X-Ray-Scattering
(j) Neutron Scattering
This program supports hypothesis-driven research to understand atomic, molecular,
electronics and magnetic structures and excitations, and their relationships to macroscopic
properties, including, mechanical, thermal, electronic, magnetic, and topological. Neutron
scattering, spectroscopy, and imaging research performed primarily at DOE neutron
facilities should be central to pursuit of the research. Transformative research involving
hard and/or soft matter will be considered.
The scientific research should leverage advances in neutron scattering driven by improved
source performance, instrumentation, and advanced data acquisition and analysis
approaches. The neutron scattering activity will expand current capabilities at DOE neutron
facilities by providing support for research that motivates and leads new instrumentation
and technique developments. Research is sought to identify fundamental mechanisms
governing the response of materials to out-of-equilibrium (including operando) conditions
as achieved through correlation of neutron detection with driven changes of sample
environment, and concepts to analyze such measurements. New approaches to improve the
collection and analysis of large data sets in raw form obtained with high repetition-rate
pulsed sources or pulsed sample environment or fast multi-mega-pixel detector arrays are
encouraged. Scientific research supported by this activity should enable growth of the
neutron scattering community, such as through engagement of postdocs and students and
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efforts to make data widely accessible.
The program will not support research considered mature or routine use of neutron
scattering techniques. Typically, the emphasis on new techniques enables new access to
inhomogeneous and dynamic systems and therefore the program will de-emphasize
research of bulk systems in quiescent conditions, or research resulting in incremental
advances of understanding of materials.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Helen Kerch, helen.kerch@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Neutron-Scattering
(k) Electron and Scanning Probe Microscopies
This program supports basic research in materials sciences using advanced electron and
scanning probe microscopy and related spectroscopy techniques to understand the atomic,
electronic, and magnetic structures and properties of materials. This activity also supports
the development of new instrumentation concepts and quantitative techniques to advance
materials characterizations. Supported advancements include ultrafast electron diffraction
and imaging techniques. The goal is to develop a fundamental understanding of materials,
including quantum phenomena, through advanced microscopy, spectroscopy, and the
associated theoretical tools.
This activity emphasizes innovative research using electron and scanning probe microscopy
techniques for groundbreaking science. These include understanding and controlling nano-
or meso-scale inhomogeneity and investigations of the interplay among the quantum
observables (e.g., charge, spin) that produce unique properties. Research topics include
imaging the functionality of materials and investigation of electronic structure, spin
dynamics, magnetism, phase transitions; transport properties from atomistic to mesoscopic
length scales; and data science methods in microscopy and data analysis including machine
learning and artificial intelligence. Progress in materials research requires development of
innovative techniques and probes that harness quantum behavior in their characterization
schema, as well as the utilization of imaging and spectroscopic techniques for the
understanding and control of material or defect formation and properties at the atomic or
nanometer scales. Advanced in situ analysis capabilities for the study of time-dependent
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phenomena, including dynamics of quantum materials using ultrafast techniques, is also an
area of interest in the program. The program encourages applications that develop AI/ML
methods for integrating complex datasets from multimodal imaging and faster and more
accurate data reconstruction and analysis.
The program will not support research considered to be “mature use” of microscopy
techniques or device development. Electron and scanning probe efforts, including technique
development, that is proposed without associated scientific goals or is motivated primarily
by support of other funded research will not be considered. Research focused on
conventional superconductivity will be de-emphasized.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by October 31, 2025.
• Applications submitted by December 31, 2025, will be considered for funding in FY
2026. Applications submitted after December 31, 2025, are not guaranteed consideration
for funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Jane Zhu, jane.zhu@science.doe.gov
Website: https://science.osti.gov/bes/mse/Research-Areas/Electron-and-Scanning-Probe-
Microscopies
Chemical Sciences, Geosciences, and Biosciences
Division Website: https://science.osti.gov/bes/csgb/
The Chemical Sciences, Geosciences, and Biosciences (CSGB) Division supports
experimental, theoretical, and computational research to provide fundamental
understanding of chemical transformations and energy flow in systems relevant to DOE
missions. This knowledge serves as a basis for the development of new processes for energy
and national priorities. The CSGB research portfolio consists of the core research areas
listed below.
(l) Atomic, Molecular, and Optical Sciences
The Atomic, Molecular, and Optical Sciences (AMOS) program supports fundamental
experimental and theoretical research in ultrafast chemical sciences. The aim of this
program is to develop accurate quantum chemical descriptions of excited state physical and
chemical processes to establish the foundational knowledge required to control ultrafast
(coherent) electronic and vibrational dynamics. The program currently supports efforts to
develop and use novel probes of ultrafast phenomena, to understand the dynamics of
molecules in intense electromagnetic fields, and to observe and control quantum
(de)coherence on increasingly faster timescales.
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This program supports ultrafast, strong-field, short-wavelength science, and studies of
correlated dynamics in molecular systems. Examples include ultrafast x-ray science at the
Linac Coherent Light Source (LCLS-II) and the use of high-harmonic generation and its
variants for probing ultrafast charge transfer and chemical reaction dynamics. Applications
of these light sources include ultrafast imaging of chemical reactions, inner-shell
photoionization of molecules, and probing and controlling charge transfer and non-
adiabatic dynamics. The program encourages research exploiting next-generation
capabilities of x-ray free electron lasers and modern data science approaches to provide new
insights into electronic and molecular dynamics on the attosecond-to-femtosecond time
scale. Coherent control of nonlinear optical processes and tailoring of wavefunctions with
lasers continues to be of interest, particularly in the context of non-adiabatic excited state
dynamics.
The AMOS program is also seeking applications for chemical dynamics research at the
space-time limit, i.e., with joint femtosecond temporal and nanometer spatial resolution.
Applications aimed at taking advantage of quantum phenomena to enhance classical
approaches to probing chemical dynamics are also strongly encouraged. Applications in this
area may include elements of quantum information sciences research (quantum light /
quantum metrology) and AMOS, with the aim of gaining a deeper fundamental
understanding of ultrafast phenomena.
The AMOS program is not currently accepting applications in the areas of plasma physics
and the physics of atomic and ultracold systems. Projects involving theoretical,
computational, and instrument development must include well-integrated scientific
research focused on ultrafast chemical sciences.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by December 31,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Patrick El Khoury, patrick.el-khoury@science.doe.gov
Website: https://science.osti.gov/bes/csgb/research-areas/atomic-molecular-and-optical-
science/
(m) Gas Phase Chemical Physics
This program supports research on fundamental gas-phase chemical processes. Research in
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this program explores chemical reactivity, kinetics, and dynamics in the gas phase and seeks
to understand energy flow and reaction mechanisms in complex, nonequilibrium, gas-phase
environments. A crosscutting theme for the Gas Phase Chemical Physics (GPCP) program is
systems chemistry, in which complex molecular behavior emerges from ensembles of
molecules or large reaction networks in the gas phase. The GPCP program seeks to
understand and ultimately control emergent molecular complexity. Of particular interest
are reactions included in gas phase and/or gas/surface chemical reaction networks. In such
reaction networks emergent behavior manifests as a significant and possibly precipitous
change in chemical reaction rates, branching ratios, particle growth, and/or product energy
distributions with changes in conditions, e.g., temperature, pressure, ion concentration, and
elementary reactions included in the reaction network.
The major focus of research in this area is in four thrust areas (Light-Matter Interactions,
Chemical Reactivity, Gas-Particle Interconversion, and Gas-Surface Chemical Physics).
• Light-Matter Interactions includes research in the development and application of
innovative tools for probing the nuclear and electronic structure and dynamics of gas-
phase molecules in complex environments. Proposed technical developments must yield
new and scientifically impactful insights on dynamic processes, such as energy flow,
nuclear rearrangements, and generation and relaxation of quantum coherence and
entanglement. The program encourages applications that develop automated methods
based on AI/ML to facilitate the analysis of complex experimental observables or provide
new insights on quantum phenomena relevant to quantum information science.
• Chemical Reactivity comprises research in chemical kinetics and mechanisms, chemical
dynamics, collisional energy transfer, and construction of, and calculations on,
molecular potential energy surfaces. The Program emphasizes research that develops
fundamental insights and transferable knowledge of energy flow and chemical reactions,
including electron-driven chemistry. The Program encourages applications to develop
and leverage AI/ML methods to advance fundamental understanding of increasingly
complex systems.
• Gas-Particle Interconversion comprises research on the chemistry of small gas-phase
particles, including their interactions with gas-phase molecules and dynamic evolution
to understand the molecular mechanisms of formation, growth, and transformation
(such as evaporation, phase transition, and reactive processing) of small particles.
• Gas-Surface Chemical Physics emphasizes molecular-scale investigations of gas-phase
chemical processes with the goal of understanding the cooperative effects of coupling
gas-phase chemistry with surface chemistry.
The Gas Phase Chemical Physics program does not support research in non-reacting fluid
dynamics (transport phenomena including computational fluid dynamics); reacting and
non-reacting turbulent flow and the impact of transport of chemical reactions; spray
dynamics; data-sharing software development; end-use combustion device development;
and characterization or optimization of end-use combustion devices.
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Target Dates:
• Pre-applications are strongly encouraged and should be submitted by December 31,
2025.
• Applications submitted by February 1, 2026, will be considered for funding in FY 2026.
Applications submitted after February 1, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Tom Settersten, thomas.settersten@science.doe.gov
Website: https://science.osti.gov/bes/csgb/Research-Areas/Gas-Phase-Chemical-Physics
(n) Computational and Theoretical Chemistry
This program supports fundamental research for the sustained development, innovation
and integration4 of theoretical and computational approaches for the accurate and efficient
prediction of chemical processes and mechanisms relevant to the DOE mission. Part of the
focus is on simulation of dynamical processes that are so complex that efficient
computational implementation must be accomplished in concert with development of new
theories and algorithms. Efforts must be tightly integrated with the research and goals of
BES and provide theories and computational approaches to advance the fundamental
science of chemical transformations and energy and information transduction processes
across multiple scales in complex environments and systems. Applications may include the
development or improvement of modular computational tools that enhance interpretation
and analysis of advanced experimental measurements, including those acquired at DOE
user facilities, or efforts aimed at enhancing the accuracy, precision, applicability and
scalability of quantum-mechanical simulation methods. Also included are development of
spatial and temporal multiscale methodologies that allow for time-dependent simulations of
relativistic, coherent, entangled, and dissipative processes as well as rare events.
Development of novel theories and simulation capabilities for theory-guided control of
externally driven electronic and spin-dependent processes in real environments is
encouraged.
The Computational and Theoretical Chemistry (CTC) focus for FY 2026 is on the innovation
of predictive mechanistic theories and practical, systematically improvable and hierarchical
methods for describing and simulating dynamical processes occurring in complex molecular
ensembles and environments. Topics of interest within this focus include the development
and integration of quantum chemical approaches for the accurate simulation and
prescriptive design of (i) systems-level behaviors and other emergent functionalities and
4 A Perspective on Sustainable Computational Chemistry Software Development and Integration, R. Di Felice
et al., J. Chem. Theory Comput. 2023, 19, 7056. https://DOI.org/10.1021/acs.jctc.3c00419.
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phenomena for manipulating information and energy transduction, with specific emphasis
on dynamical chemical systems that exploit coordinated effects of chirality, topology, and
magnetoelectric interactions to achieve novel functionalities, (ii) non-biological cooperative
reaction networks and mechanisms, leading to programmable matter, chemical artificial
intelligence and/or molecular cybernetic functionalities, or (iii) correlated multi-electron,
multi-electron, and/or interacting quasiparticle governed chemical transformation and
energy transduction processes, including those that may require consideration of symmetry
violations or non-Hermitian or non-memoryless dynamical approaches to describe, in field-
driven complex open quantum systems.
New Collaborative Opportunity: Collaborative research that involves experimental or
theoretical condensed matter physics aspects to address the specific emphasis described in
CTC topic of interest (i) above is encouraged. Prior to submission, multiple investigator
collaborative research ideas should be discussed with the subprogram contacts of CTC and
the relevant participating subprogram(s): Condensed Phase and Interfacial Molecular
Science (see research area (o) below), Experimental Condensed Matter Physics (see research
area (d) above), Physical Behavior of Materials (see research area (f) above), or Theoretical
Condensed Matter Physics (see research area (e) above).
CTC does not support projects based on (i) the “mature use” of presently available
implementations of computational and theoretical chemistry methods and/or approaches,
(ii) the development of phenomenological models and empirical parameterization of
models, (iii) methods for, or applications to, systems that do not explicitly consider
rearrangements of quantum-mechanical degrees of freedom, or (iv) the development of
density functional theory approximations or machine-learned potentials. AI/ML focused
efforts in CTC must develop run-time compute intensive algorithms and methods, such as
those that require reasoning and/or inference modelling to be performed during their
execution, to advance the current state-of-the-art in exascale, quantum hardware-based, or
other novel compute paradigm-based simulations of chemical systems and processes for
fundamental knowledge discovery.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by November 30,
2025.
• Applications submitted by February 15, 2026, will be considered for funding in FY 2026.
Applications submitted after February 15, 2026, are not guaranteed consideration for
funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Aaron Holder, aaron.holder@science.doe.gov
Website: https://science.osti.gov/bes/csgb/research-areas/computational-and-theoretical-
chemistry/
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(o) Condensed Phase and Interfacial Molecular Science
The Condensed Phase and Interfacial Molecular Science (CPIMS) program emphasizes
basic research at the boundary of chemistry and physics, pursuing a molecular-level
understanding of chemical and physical processes in liquids and/or at interfaces. With its
foundation in chemical physics, the impact of this crosscutting program is far reaching,
providing understanding and scientific foundations underpinning a variety of areas of
importance to the DOE, including energy, chemical synthesis and manufacturing,
microelectronics, nuclear power generation, and quantum information science. The CPIMS
program also supports a significant number of efforts that develop and use Artificial
Intelligence and Machine Learning to form the basis for new approaches for understanding
science questions of interest to the CPIMS program.
Experimental and theoretical investigations in the gas phase, condensed phase, and at
interfaces aim at elucidating the molecular-scale chemical and physical properties and
interactions that govern chemical reactivity, solute/solvent structure, and transport. Studies
of reaction dynamics at well-characterized surfaces and clusters lead to the development of
theories on the molecular origins of surface-mediated catalysis and heterogeneous
chemistry. Studies of model condensed-phase systems target first-principles understanding
of molecular reactivity and dynamical processes in solution and at interfaces. Fundamental
studies of reactive processes driven by radiolysis in condensed phases and at interfaces
provide improved understanding of radiation-driven chemistry in nuclear fuel, waste
environments, and coolants for fusion and fission reactors. (Radiation chemistry research is
managed jointly by the CPIMS program and the Photochemistry and Radiation Chemistry
program in section (u); applicants may wish to discuss their radiation chemistry research
plans with the contacts for each program.)
The transition from molecular-scale chemistry to the emergence of collective phenomena in
complex systems is also of interest, allowing knowledge gained at the molecular level to be
exploited through the dynamics and kinetics of collective interactions. In this manner, the
desired evolution is toward predictive capabilities that span the microscopic to nanoscale
domains, enabling the understanding of molecular-scale interactions as well as their role in
complex, collective behavior at larger scales. A molecular level understanding of complex
molecular systems is sought, capturing the essence of chemical behavior, uncovering the
knowledge of the main molecular-level driving forces behind the behavior, revealing the
information that can be discarded while achieving reasonable descriptions, and discovering
the universal principles that can be applied more widely.
The CPIMS program will continue to increase emphasis in Systems Chemistry to
understand how interacting molecular networks can lead to emergent reactive behavior.
Examples include reaction-diffusion systems, positional information, compartmentalized
reaction networks, substrate-induced reactive systems, chemical replication, directionality
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in chemical flux and assembly growth, and the chemical dynamics of nonequilibrium
catalysis. The CPIMS program will add to a portfolio that includes recent awards to develop
and use tools to mimic the active chemical processes found in living systems, seeking to
understand the emergence of synthetic systems that function away from equilibrium.
The CPIMS program will increase emphasis on chemistry at the boundaries of condensed
matter physics, including where unexpected emergent behavior has been identified. The
program will increase a portfolio that includes studies of how chemical reactions might be
supported at the surface of topological materials, the impact of Moiré effects on
electrochemistry, the use of the theories of topological physics to change the way chemical
reactions are understood and manipulated, and how light-matter strong coupling can affect
chemical reactions. Another topic of interest is the impact of chirality on spin-dependent
interfacial chemistry.
New Collaborative Opportunity: CPIMS is also soliciting collaborative applications for
combined experimental and theoretical studies of the impacts of chirality on spin-dependent
interfacial chemistry. Prior to submission, multiple investigator collaborative research ideas
should be discussed with the subprogram contacts of CPIMS and the relevant participating
program(s): Computational and Theoretical Chemistry (see research area (n) above),
Experimental Condensed Matter Physics, (see research area (d) above); Theoretical
Condensed Matter Physics (see research area (e) above), and Physical Behavior of Materials
(see research area (f) above).
The CPIMS program does not fund research in mechanics or dynamics of bulk fluids,
technological applications, or device development.
Target Dates:
• Pre-applications are strongly encouraged. There is no target date for pre-applications or
applications.
Subprogram Contact:
• Gregory Fiechtner, gregory.fiechtner@science.doe.gov
Website: https://science.osti.gov/bes/csgb/Research-Areas/Condensed-Phase-and-
Interfacial-Molecular-Sciences
(p) Quantum Information Science Research in Chemical Sciences, Geosciences,
and Biosciences
This program supports fundamental research at the intersection of chemistry, quantum
physics, and information theories to provide a foundational understanding of quantum
information control in complex molecular systems. Efforts in this area build the necessary
scientific basis to develop chemical design principles for the next-generation quantum
technologies in computing, communication, and sensing.
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The program adopts an integrated approach that combines foundational quantum
information science (QIS) research, the fundamental understanding of quantum processes
underlying quantum technologies, and the translation of QIS advances into applications
central to the BES mission. Applicable research areas include:
Foundational studies of quantum information structure and behavior in molecular systems:
• New theoretical frameworks that describe how quantum information is organized in
complex molecular systems, using tools such as operator algebras, quantum geometry,
noncommutative methods, and related approaches, to reveal structural or conceptual
features that are difficult to capture with existing methods.
• Molecular-level understanding of quantum information behavior and functionality in
realistic settings, using quantum resource theories, generalized probabilistic models,
quantum games, diagrammatic reasoning, and related methods, to capture nonclassical
information metrics such as entanglement, quantum entropy, magic, and contextuality.
• Fundamental understanding of how quantum information propagates and transforms in
large-scale molecular systems, including entanglement growth, decoherence,
thermalization, and other phenomena, laying the foundation for the development of
novel control and design strategies for robust quantum functionality at experimentally
relevant scales.
Molecular principles and mechanisms for quantum information functionality:
• High-dimensional quantum information encoding using qudits or continuous-variable
modes, identifying specific molecular degrees of freedom, or combinations thereof, that
support initialization, coherent control, entanglement generation, and state readout
under realistic conditions, with attention to chemical design principles that may enable
these capabilities across diverse molecular platforms.
• Design and control of quantum state transfer in extended molecular systems, focusing
on strategies for propagating quantum information through complex, variable
architectures. The goal is to identify general principles that support stable and coherent
communication between molecular subsystems via near-field coupling, host-mediated
interactions, or photonic pathways.
• Molecular systems as physical learning substrates for quantum AI primitives, with
emphasis on physical encodings and interactions that naturally enable operations such
as data representation, kernel-based inference, entanglement-assisted feature extraction,
and resource-aware learning or decision processes, including their use as quantum
reservoirs.
Quantum computing and quantum machine learning for molecular simulations:
• Circuit-based approaches extended to qudit and continuous variable representations,
direct fermionic and bosonic primitives realized through physical gate operations, as
well as alternative paradigms such as measurement-based computing, quantum cellular
automata, and structurally informed frameworks shaped by molecular symmetries and
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dynamics.
• Abstract and controllable quantum surrogate models that not only support simulation
on quantum hardware but also serve as standalone representations for exposing hidden
structure and extracting fundamental physical insight for the underlying system.
• Interpretable quantum machine learning approaches to uncover physically meaningful
structure within molecular quantum systems, including the extraction of patterns,
universal representations, and resource features from trained models; the discovery of
underlying mechanisms and control principles; and the refinement of theoretical
frameworks.
To be considered responsive, applications must pursue high impact foundational research
that incorporates one or more of the research topics listed above and clearly articulates its
importance to the molecular systems relevant to the CSGB domain sciences.
Applications will be deemed nonresponsive if they focus on
• materials science, engineering, synthesis, device optimization, or designing/building
quantum computers
• algorithmic translation of established quantum chemistry methods to quantum
computers, without addressing foundational QIS questions
• computational simulation, including those based on AI/ML, without contributing to the
understanding or advancement of foundational QIS principles
Target Dates:
• Pre-applications are strongly encouraged. There is no target date for pre-applications or
applications.
Subprogram Contact:
• Marat Valiev, marat.valiev@science.doe.gov
Website: https://science.osti.gov/bes/csgb/Research-Areas/Quantum-Information-Sciences
(q) Catalysis Science
This program supports basic research pursuing novel catalyst design and molecular-level
control of chemical transformations relevant to the conversion of energy resources.
Emphasis is on the understanding of reaction mechanisms, enabling precise identification
and manipulation of catalytic active sites, their environments, and reaction conditions for
optimized efficiency and selectivity. Elucidation of catalytic reaction mechanisms in varied
chemical environments and the structure-reactivity relationships of solid and molecular
catalysts comprises a central component of the program.
A long-term objective is to promote the convergence of heterogeneous, homogeneous,
electro-, and bio-catalysis as a means to discover novel inorganic, organic, and hybrid
catalysts that are atom and energy efficient for selective fuel and chemical production.
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Specific focus areas are described below:
• New mechanisms and catalytic transformations mediated by Earth Abundant metals.
• Reducing the dependence on catalysts containing platinum group or other critical
elements by advancing novel concepts to increase active site efficiency.
• Approaches that explore catalysts and mechanisms associated with transformations in
multicomponent mixtures, multiple reactions, and integrated processes.
Transformations involving light hydrocarbons or lignocellulosic-derived molecules
towards chemicals and fuels are emphasized.
• Advanced concepts concerning catalyst design, including topics related to atomically
precise synthesis, enabling, for instance: multi-functionality, confinement within porous
materials, site cooperativity, nano- and single-atom stabilized structures, and
manipulation of weak interactions.
• Substituting or coupling thermal energy sources with less-energy intensive ones, such as
electrical, mechanochemical, or electromagnetic sources leading to efficient and resilient
chemical processes.
• Examination of the dynamics of catalyst and electronic structures occurring during
catalytic cycles and deactivation via the development of novel spectroscopic techniques
and structural probes for in situ/operando characterization of catalytic processes. This
also includes strategies to induce changes in catalytic structure and activity via response
to stimuli.
• Integrated theory-experiment and predictive theoretical catalysis supported by data-
intensive and AI/Machine Learning approaches for mechanism identification, catalyst
discovery and development, and benchmarking of catalytic properties.
This program does not support: (1) the study of transformations for pharmaceutical
applications; (2) non-catalytic stoichiometric reactions; (3) whole cell or organismal
catalysis; (4) studies where the primary focus is photochemistry or photophysics; (5) studies
primarily focused on process or reactor design and optimization; and, (6) studies primarily
focused on battery chemistry.
Target Dates:
• Pre-applications are strongly encouraged. There is no target date for pre-applications.
• Applications submitted by December 15, 2025, will be considered for funding in FY
2026. Applications submitted after December 15, 2025, are not guaranteed consideration
for funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contacts:
• Viviane Schwartz, viviane.schwartz@science.doe.gov and
• Chris Bradley, chris.bradley@science.doe.gov
Website: https://science.osti.gov/bes/csgb/research-areas/catalysis-science/
(r) Separation Science
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This program supports fundamental, hypothesis-based experimental and computational
research questions that seek to discover, predict, and control de-mixing chemical and
physical states including the kinetics and dynamics of these transitions. Relevant chemical
separation mechanisms include those that provide molecular level insight and may become
the basis for solutions to current and long-term energy challenges. Basic research in
separation science relies on understanding chemical and physical properties at multiple
length and time scales, quantum through macroscopic properties, and molecular
interactions and energy exchanges that determine the efficiency of chemical separation
processes. Emerging fundamental separation science projects that are not mature and
advance critical mineral and material separations are of particular interest to the program.
While issues of selectivity, capacity, throughput, durability, and energy input are important
parameters for separations and should be of concern for separation science research, these
issues should not be the singular focus of a project.
Among topics that align with current program priorities are:
• Elucidating how dynamics and molecular criteria limit mass transfer at interfaces or
interfacial regions during a separation process.
• Developing and elucidating how non-thermal and other mechanisms exhibit efficient,
selective, and energy-relevant separations. Possible novel mechanisms include but are
not limited to magnetic, mechanic, electromagnetic, magneto-reactive, bio-inspired, and
other means to affect transport kinetics.
• Determining the mechanism(s) of how separation parameters and processes such as
high selectivity, capacity, and throughput are impacted by emergent system properties.
• Controlling and developing mechanistic understanding of how temporal changes in
separation systems occur such as activation, degradation, self-repair, or solvation.
Consideration of timescales and molecular understanding must be articulated.
• Discovering, understanding, and predicting mechanistic paradigms for removal of dilute
constituents from a mixture, including but not limited to (a) reactive separations, (b)
intermolecular interactions leading to the formation of a new phase, or (c) emergent
phenomena that result from correlation and amplification of individual atomic or
molecular processes as well as their resulting effects on kinetics or transport properties.
Pre-applications and applications must explicitly articulate a research question, identify a
fundamental hypothesis to be tested, and describe the separation science knowledge gap
that will be addressed. These submissions should clearly detail how the proposed project
addresses one of the programmatic topics. Scientific research questions that utilize
experimental, computational, or artificial intelligence/machine learning approaches are
encouraged.
The program does not support goals that primarily focus on (a) engineering design,
optimization, or scale-up; (b) synthetic and/or characterization approaches for material or
ligand optimization rather than on advancing fundamental separation science; or (c)
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technoeconomic analyses of chemical separation processes. The program also does not
support goals that primarily seek to (d) develop narrowly defined processes or devices; (e)
advance established desalination approaches, microfluidics technology, or sensors; (f)
develop databases, characterization methods, computational methods, or theoretical
methods, rather than on advancing separation science.
Target Dates:
• Pre-applications are strongly encouraged and should be submitted by October 31, 2025.
• Applications submitted by December 10, 2025, will be considered for funding in FY
2026. Applications submitted after December 10, 2025, are not guaranteed consideration
for funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Amanda Haes, amanda.haes@science.doe.gov
Website: https://science.osti.gov/bes/csgb/Research-Areas/separation-science
(s) Heavy Element Chemistry
This program supports actinide and transactinide fundamental chemical research that
underpins the DOE missions in energy, environment, and national security with an
emphasis on the chemical and physical properties of the transuranic elements. The unique
molecular bonding of these elements is explored using experiment and theory to elucidate
electronic and molecular structure, reaction thermodynamics, as well as quantum
phenomena. Emphasis is placed on the chemical and physical properties of the transuranic
elements to determine their bonding and reactivity, the fundamental transactinide chemical
properties, and the overarching goal of resolving the f-electron challenge. The f-electron
challenge refers to the inadequacy of current electronic structure methods to accurately
describe the behavior of f-electrons, in particular strong correlation, spin-orbit coupling,
multiplet complexity, and associated relativistic effects. Theoretical applications are
considered that integrate closely with experimental research or otherwise demonstrate
impact outside the theory community. Theoretical and experimental investigations of the
superheavy elements where relativistic chemical effects dominate and the half-lives are
short, are a challenging test of theoretical and chemical techniques; these applications are
highly encouraged.
The role of 5f electrons in bond formation remains the fundamental topic in actinide
chemistry and is an overarching emphasis for this program. Theory and experiment show
that 5f orbitals participate significantly in molecular actinide compounds. Resolving the role
of the f-electrons is one of the three grand challenges identified in the Basic Research Needs
for Advanced Nuclear Energy Systems (ANES) report of the Basic Energy Sciences Workshop
(2006) and echoed in the report from the Basic Energy Sciences Advisory Committee:
Science for Energy Technology: Strengthening the Link between Basic Research and Industry
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(2010). Applicants should also look at the priority research directions and opportunities
discussed in the reports from the 2017 Basic Research Needs for Future Nuclear Energy
workshop and the July 2022 Foundational Science to Accelerate Nuclear Energy Innovation
roundtable.
Catalytic reactivity involving actinides, if not better aligned with the BES Catalysis Science
program described in section (q), is of interest to this program if the project yields insight
into f-electron behavior. Exotic catalytic and redox behavior exhibited by actinides in
extreme environments, such as the legacy nuclear waste tanks or molten salts, is also of
particular interest to this program.
The inclusion of machine learning, artificial intelligence, and quantum computing methods
are particularly desirable. This program does not fund research on: the processes affecting
the transport of subsurface contaminants, the form and mobility of contaminants including
wasteforms, projects focused on the use of heavy-element surrogates, projects aimed at
optimization of materials properties including radiation damage, high-pressure research on
neptunium or plutonium, device fabrication, data science efforts without chemical
experimentation, or biological research; these are all more appropriately supported through
other DOE programs. The HEC program will consider applications to understand how the
unique electronic structure of rare earth elements, including the role of f-electrons,
determines the physical and chemical properties of molecules and materials, with the goal
of accelerating their design to reduce or eliminate the use of critical elements. Research that
is focused primarily on separations and does not address the unique properties of the heavy
elements is better aligned with the BES Separation Science program, which is described in
section (r). Development or improvement of computational tools is better aligned with the
BES Computational and Theoretical Chemistry program, which is described in section (n).
Research that is focused primarily on radiation chemistry (chemistry initiated from excited
states) is better aligned with the BES Photochemistry and Radiation Chemistry program,
which is described in section (u). Applications should be hypothesis-based.
Target Dates:
• Pre-applications are strongly encouraged. There is no target date for pre-applications.
• Applications submitted by November 30, 2025, will be considered for funding in FY
2026. Applications submitted after November 30, 2025, are not guaranteed consideration
for funding this fiscal year. If not considered this fiscal year, applications will be held for
consideration in a future selection cycle.
Subprogram Contact:
• Philip Wilk, philip.wilk@science.doe.gov
Website: https://science.osti.gov/bes/csgb/research-areas/heavy-element-chemistry/
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