DE-FOA-0003614.pdf

Basic Energy Sciences (BES)

Energy Frontier Research Centers (EFRCs)

Notice of Funding Opportunity (NOFO) Number:

DE-FOA-0003614

NOFO Type: Initial Assistance Listings: 81.049

NOFO Issue Date: February 18, 2026 Submission Deadline for Pre-Applications:

April 1, 2026 at 5:00 PM ET A Pre-Application is required.

Pre-Applications must be submitted by an authorized institutional representative.

Pre-Application Response Date: May 6, 2026 at 11:59 PM ET Submission Deadline for Applications: July 1, 2026 11:59 PM ET

Table of Contents

TABLE OF CONTENTS

I. BASIC INFORMATION

EXECUTIVE SUMMARY

FUNDING DETAILS

KEY FACTS

KEY DATES

AGENCY CONTACT INFORMATION

INFORMATIONAL WEBINAR / OFFICE HOURS

RECOMMENDATION

II. ELIGIBILITY

A. ELIGIBLE APPLICANTS

B. COST SHARING

C. ELIGIBLE INDIVIDUALS

D. LIMITATIONS ON SUBMISSIONS

E. OTHER ELIGIBILITY REQUIREMENTS

III. PROGRAM DESCRIPTION

A. PURPOSE

B. PROGRAM GOALS, OBJECTIVES, AND PRIORITIES

C. AWARD CONTRIBUTION TO GOALS AND OBJECTIVES

D. PERFORMANCE GOALS

E. SUBSTANTIAL INVOLVEMENT

F. PROGRAM UNALLOWABLE COSTS

G. CITATIONS TO STATUTE AND REGULATIONS

H. PROGRAM HISTORY

I. OTHER INFORMATION

IV. APPLICATION CONTENTS AND FORMAT

A. PRELIMINARY SUBMISSIONS

B. APPLICATION

C. COMPONENT PIECES OF THE APPLICATION

D. INFORMATION THAT MUST BE SUBMITTED AFTER APPLICATION BUT

BEFORE AWARD

V. SUBMISSION REQUIREMENTS AND DEADLINES

A. ADDRESS TO REQUEST APPLICATION PACKAGE

B. UNIQUE ENTITY IDENTIFIER (UEI) AND SYSTEM FOR AWARD MANAGEMENT

(SAM.GOV)

C. SUBMISSION INSTRUCTIONS

D. SUBMISSION DATES AND TIMES

VI. APPLICATION REVIEW INFORMATION

A. RESPONSIVENESS REVIEW

B. REVIEW CRITERIA

C. REVIEW AND SELECTION PROCESS

VII. AWARD NOTICES

A. TYPE OF AWARD INSTRUMENT

B. ANTICIPATED TIMELINE FOR NOTICE OF SELECTION FOR AWARD

NEGOTIATION

VIII. POST-AWARD REQUIREMENTS AND ADMINISTRATION

A. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS

B. REPORTING

C. REPORTING OF MATTERS RELATED TO RECIPIENT INTEGRITY AND

PERFORMANCE (DECEMBER 2015)

D. INTERIM CONFLICT OF INTEREST POLICY FOR FINANCIAL ASSISTANCE

IX. OTHER INFORMATION

A. CHECKLIST FOR AVOIDING COMMON ERRORS

B. HOW-TO GUIDES

C. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS

D. REFERENCE MATERIAL

I. Basic Information

U.S. Department of Energy (DOE) Office of Science (SC)

Executive Summary

The DOE SC program in Basic Energy Sciences (BES) announces a re-competition of the Energy Frontier Research Center (EFRC) program and encourages both new and renewal applications. Applications from multi-disciplinary teams will be required to propose discovery science and use-inspired basic research that address scientific challenges in one or more of the topic areas listed below. The focus of the EFRC program is on fundamental scientific research, therefore applications to this NOFO must not propose applied research and technology development activities.

BES is soliciting applications in two general categories: BES Report Topics and Special Topics. Applications may respond to topics in both categories. Topic areas are open to both new and renewal applications, unless noted below in Section III. Program Description.

In the BES Reports Topics, applicants must address priority research directions (PRD) and opportunities (PRO) identified in one or more of the following reports (see full description for PRO/PRD restrictions):

• Foundational Science to Accelerate Nuclear Energy Innovation

• Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda

• Basic Research Needs for Next Generation Electrical Energy Storage

• Basic Research Needs for Transformative Manufacturing

• Basic Research Needs for Microelectronics

• BES Roundtable on Opportunities for Quantum Computing in Chemical and

Materials Sciences

• BES Roundtable on Opportunities for Basic Research for Next-Generation Quantum

Systems

In the Special Topics, applicants must address one or more of the following topics (see full description for details):

• Controlling Quantum Phenomena to Enable Unconventional Computing Paradigms

• Development and Workflow Integration of AI/ML Models for Materials and

Chemistry Discovery Science

• Emergent Phenomena of Complex Chemical Systems

• Fundamental Science for Critical Minerals and Materials (CMM) https://science.osti.gov/-/media/bes/pdf/reports/2024/BES-Nuclear-Roundtable-Report-for-posting.pdf https://science.osti.gov/-/media/bes/pdf/reports/2015/Controlling_Subsurface_Fractures_and_Fluid_Flow_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2017/BRN_NGEES_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2020/Manufacturing_BRN_Report_Combined.pdf https://science.osti.gov/-/media/bes/pdf/reports/2019/BRN_Microelectronics_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2018/Quantum_computing.pdf https://science.osti.gov/-/media/bes/pdf/reports/2018/Quantum_computing.pdf https://science.osti.gov/-/media/bes/pdf/reports/2018/Quantum_systems.pdf

Funding Details

Expected total available funding

DOE anticipates that, subject to the availability of future year appropriations, a total of $352 million in current and future fiscal year funds will be used to support awards under this NOFO, of which $88 million will be available annually.

DOE is under no obligation to pay for any costs associated with preparation or submission of applications. DOE reserves the right to fund, in whole or in part, any, all, or none of the applications submitted in response to this NOFO.

Expected number of awards

The exact number of awards will depend on the number of meritorious applications and the availability of appropriated funds.

Expected dollar amount of individual awards

$3,000,000 to $4,500,000 per award per year ($12,000,000 to $18,000,000 per award for a 4-year period). Average award size is expected to be $4,000,000 per award per year after the first year of operations.

Expected award project period

Four years

Other Considerations For renewal applications, notwithstanding the lower limit identified above, DOE may consider limited-term renewal awards to allow for the completion of research projects and orderly closeout of EFRCs that do not merit long-term continued support. Annual funding for such awards could fall below the $3,000,000 floor.

For new applications, recognizing that new centers take some time to ramp up full operations, DOE will likely award less funding in Year 1 of the four-year project period than in subsequent years.

Key Facts

NOFO Title Energy Frontier Research Centers (EFRC) NOFO Number DE-FOA-0003614 Announcement Type Initial 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

Section 401 of Public Law 115-368, National Quantum Initiative Act Section 303 of Public Law 115-246, Department of Energy Research and Innovation Act Section 10102 of Public Law 117-167, CHIPS and Science Act of

Governing Regulations

Uniform Administrative Requirements, Cost Principles, and 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 Rule, codified at 10 CFR 605

Key Dates

Key dates are printed on the cover of this NOFO.

Agency Contact Information

Grants.gov Customer Support

800-518-4726 (toll-free) support@Grants.gov

PAMS

Customer Support

855-818-1846 (toll-free) 301-903-9610 sc.pams-helpdesk@science.doe.gov

Program Contact EFRC@science.doe.gov for all inquiries.

Applicants are strongly encouraged to inform EFRC@science.doe.gov if teaming arrangements, proposed personnel, or the anticipated title change between submitting the preapplication and when an application is submitted, to ensure that their application is properly linked to their pre-application and that reviewers are properly assigned to the application.

Informational Webinar / Office Hours

SC plans to hold an informational webinar about this NOFO on March 3, 2026 at 2:00-3:00 pm ET. Registration instructions and other details will be posted at https://science-doe.zoomgov.com/webinar/register/WN_hgfnnSixREiqlCc3m7Exvw.

mailto:support@grants.gov mailto:sc.pams-helpdesk@science.doe.gov mailto:EFRC@science.doe.gov mailto:EFRC@science.doe.gov https://science-doe.zoomgov.com/webinar/register/WN_hgfnnSixREiqlCc3m7Exvw https://science-doe.zoomgov.com/webinar/register/WN_hgfnnSixREiqlCc3m7Exvw

Recommendation

SC encourages you to register in all systems as soon as possible. You are also encouraged to submit pre-applications and applications well before the deadline.

II. Eligibility

A. Eligible Applicants

All types of domestic 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 eligible to submit applications under this NOFO and may be proposed as subrecipients under another organization’s application. If recommended for funding as a lead applicant, funding will be provided 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. 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. 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 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 may be removed from the prime applicant’s award and may be provided through an interagency agreement 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 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 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

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.

NOFO.

Notes for applicants of all types:

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.

Applications that are submitted by applicants that have not submitted a required pre-application will be declined without further review.

Applicants may propose non-domestic entities as subrecipients in their applications.

Applicants are advised that successful applications that propose non-domestic entities as subrecipients include a detailed demonstration of how the proposed non-domestic subrecipients possess skills, resources, and abilities that do not exist among potential domestic subrecipients.

B. Cost Sharing

Cost sharing for basic and fundamental research is not required pursuant to an exclusion from the requirements of Section 988 of the Energy Policy Act of 2005.

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.

SC does not require that individuals be U.S. citizens or permanent residents to be proposed as a PI or in any other role under an award, but all personnel working or proposed to work under an award must have the legal right to perform such work in the jurisdiction where the work will be performed. Individuals at any stage of their career may be proposed as a PI if they have the skills, knowledge, and resources necessary to carry out the proposed research.

D. Limitations on Submissions

Applicant institutions are limited to no more than three pre-applications or applications as the lead institution.

An individual may not be named as the PI (EFRC Director) on more than one pre-application or application. Directors of existing EFRC awards that do not have project end dates in 2026 cannot be named as the EFRC Director on any pre-application or application in response to this NOFO.

There is no limitation to the number of applications on which an institution appears as a subrecipient.

Should DOE receive submissions in excess of the applicable limits, DOE reserves the right, in its sole discretion, to request additional or clarifying information to ascertain the institution’s intended submissions. Otherwise, DOE will consider the latest received submissions to be the institution’s intended submissions.

• Pre-applications in excess of the limited number of submissions may be discouraged.

• Applications in excess of the limited number of submissions may be declined without review.

LIMITATIONS ON PI (EFRC DIRECTOR)

The PI (EFRC Director) on a pre-application or application may also be listed as a senior or key personnel on an unlimited number of separate submissions.

EFRC Directors must be in a permanent or indefinitely extensible position at the applicant institution, whether tenured or a staff appointment. Individuals in term-limited appointments, whether as adjunct, visiting faculty, fellows, or similar appointments, are not eligible to be proposed as an EFRC Director. EFRC Directors on university led applications must be in a tenured position. Individuals in part-time permanent positions are eligible to be proposed as an EFRC Director.

Individuals in a joint appointment are eligible to be proposed as an EFRC Director if work will be performed at the applicant institution and if the EFRC Director is a paid employee of the applicant institution. Individuals paid by another institution may not be named as the EFRC Director but may be named in other senior/key roles. A paid employee is one that is on the applicant institution’s payroll, receiving wages and benefits in accordance with the applicant institution’s normal wage and benefit practices, and whose position is not governed by any arrangement, agreement, or contract between the applicant institution and another institution.

Individuals receiving more than half of their salary and benefits from a DOE/NNSA National Laboratory may not be named as the EFRC Director in an application submitted by an applicant other than a DOE/NNSA National Laboratory, regardless of any arrangement between the employing Laboratory and the applicant institution.

Awards made under this NOFO are intended to support activities at eligible applicant institutions. If the EFRC Director of an award made under this NOFO were to accept a position at a different institution, SC does not intend to deobligate funds from the resulting award to support a new award to the new institution. SC would be interested in the recipient institution proposing a new EFRC Director.

E. Other Eligibility Requirements

The lead institution identified in an application must be the same lead institution identified in the required pre-application. If an application is received for which the lead organization has changed since submission of the pre-application, then the application may be declined without further review. The lead PI (EFRC Director) should not be changed unless unavoidable and only minor edits should be made, if necessary, to the title of the project. If necessary, the applicant may make changes to other senior/key personnel and other participating institutions, although DOE discourages extensive changes.

Additional Eligibility Requirements may be identified in the listing of topics in Section III of this NOFO.

III. Program Description

A. Purpose

The DOE SC program in Basic Energy Sciences (BES) announces a re-competition of the Energy Frontier Research Center (EFRC) program. The purpose of this program is to bring together world-class teams of scientists from universities, DOE national laboratories, and other institutions to perform energy-relevant basic research with a scope and complexity beyond what is possible in single-investigator or small-group awards. These multi-investigator, multi-disciplinary centers accelerate transformative scientific advances for the most challenging topics in materials sciences, chemical sciences, geosciences, and biosciences. EFRCs integrate experiments, theory, computation, and AI/ML; develop innovative experimental and theoretical tools that illuminate fundamental processes in unprecedented detail; and create an enthusiastic, interdisciplinary, workforce of energy-focused scientists.

SUPPLEMENTARY INFORMATION

Background

BES’s mission is to support fundamental research to understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels in order to provide the foundations for new energy technologies and to support DOE missions in energy, environment, and national security. The portfolio supports work in the natural sciences by emphasizing fundamental research in materials sciences, chemistry, geosciences, and biosciences. BES- supported scientific facilities provide specialized instrumentation and expertise that enable scientists to carry out experiments not possible at individual laboratories.

EFRCs conduct fundamental research to address grand challenges identified in the report Directing Matter and Energy: Five Challenges for Science and the Imagination (December 2007) and transformative opportunities identified in the report Challenges at the Frontiers of Matter and Energy: Transformative Opportunities for Discovery Science (November 2015). In addition, EFRCs perform use-inspired basic research to address emerging scientific challenges relevant to the DOE missions and fill scientific knowledge gaps identified by BES and the scientific community in major strategic planning efforts (see BES Reports below).

Further information about BES and the EFRC program can be found here:

• BES: https://science.osti.gov/bes/

• EFRC: https://science.osti.gov/bes/efrc/

Science Topics https://science.osti.gov/%7E/media/bes/pdf/reports/files/Directing_Matter_and_Energy_rpt.pdf https://science.osti.gov/%7E/media/bes/besac/pdf/Reports/Challenges_at_the_Frontiers_of_Matter_and_Energy_rpt.pdf https://science.osti.gov/%7E/media/bes/besac/pdf/Reports/Challenges_at_the_Frontiers_of_Matter_and_Energy_rpt.pdf https://science.osti.gov/bes/ https://science.osti.gov/bes/efrc/

BES is soliciting applications in two general categories: BES Report Topics and Special Topics. Applications may respond to topics in both categories. Topic areas are open to both new and renewal applications, unless noted below.

BES REPORTS TOPICS

In the BES Reports Topics, applicants must address priority research directions and opportunities identified in one or more of the following reports:

• Foundational Science to Accelerate Nuclear Energy Innovation – New and renewal applications may respond to all priority research opportunities.

• Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda – New and renewal applications may respond to all priority research directions.

Subsurface topics related to critical minerals and materials, hydrocarbons, and/or enhanced geothermal are emphasized.

• Basic Research Needs for Next Generation Electrical Energy Storage – Renewal applications may respond to all priority research directions. New applications may respond only to PRD 2: Link complex electronic, electrochemical, and physical phenomena across time and space and/or PRD 3: Control and exploit the complex interphase region formed at dynamic interfaces.

• Basic Research Needs for Transformative Manufacturing – New and renewal applications may respond only to PRD 1: Achieve precise, scalable synthesis and processing of atomic-scale building blocks for components and systems, and/or PRD 5:

Co-design materials, processes, and products to revolutionize manufacturing.

• Basic Research Needs for Microelectronics – New and renewal applications may respond to all priority research directions.

• BES Roundtable on Opportunities for Quantum Computing in Chemical and Materials Sciences – New and renewal applications may respond to all priority research opportunities. Applications that do not provide a clear path to overcome scaling and noise limitations of quantum hardware are unresponsive.

• BES Roundtable on Opportunities for Basic Research for Next-Generation Quantum Systems – New and renewal applications may respond only to PRO 2:

Enhance creation and control of coherence in quantum systems and/or PRO 3: Discover novel approaches for quantum-to-quantum transduction. Proposals whose primary aim is the discovery, synthesis, or characterization of new quantum materials, without a direct and measurable transformative impact for quantum information science, are unresponsive.

SPECIAL TOPICS

In the Special Topics, applicants must address one or more of the following topics:

a) Controlling Quantum Phenomena to Enable Unconventional Computing Paradigms

b) Development and Workflow Integration of AI/ML Models for Materials and

Chemistry Discovery Science

c) Emergent Phenomena of Complex Chemical Systems

d) Fundamental Science for Critical Minerals and Materials (CMM) https://science.osti.gov/-/media/bes/pdf/reports/2024/BES-Nuclear-Roundtable-Report-for-posting.pdf https://science.osti.gov/-/media/bes/pdf/reports/2015/Controlling_Subsurface_Fractures_and_Fluid_Flow_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2017/BRN_NGEES_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2020/Manufacturing_BRN_Report_Combined.pdf https://science.osti.gov/-/media/bes/pdf/reports/2019/BRN_Microelectronics_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2018/Quantum_computing.pdf https://science.osti.gov/-/media/bes/pdf/reports/2018/Quantum_computing.pdf

(a) Controlling Quantum Phenomena to Enable Unconventional Computing Paradigms The rise of quantum computing drives experimental and theoretical sophistication to harness and control quantum phenomena. At the same time the rise of Artificial Intelligence (AI) accelerates the demand for high performance computing platforms. The continued use of the von Neumann computing paradigm creates a bottleneck that limits performance and efficiency of data intensive computing that requires large amount of data movement. Utilizing quantum phenomena offers unique opportunities to overcome these limits while also enabling insights into new principles of efficient, interpretable computation and shed light on how information is structured and communicated within the physical system. This topic encourages fundamental research that leverages controllable quantum phenomena to overcome computational limits to advance new principles of computation and learning.

Applications for this topic must demonstrate and establish novel quantum phenomenon-based computing paradigms suitable for data intensive computing while also advancing a fundamental understanding of computation and learning as a physical process. To achieve this outcome, an interdisciplinary co-design approach is needed to integrate emerging quantum functionalities for information processing, storage, and transmission into unconventional compute frameworks that leverage novel switching mechanisms, interconnects, photonics, optoelectronics, and other fundamental non-linear phenomena to revolutionize high performance data-intensive computing. Supporting research in the areas of quantum learning, dynamical learning, and systems learning to reveal how quantum resources, nonequilibrium reservoirs, and/or complex chemical and materials systems enable computing and learning is also encouraged.

The demonstration of scalability of the proposed approaches needs to be supported by full circuit analyses, system level insights, model devices, and/or computational methods. The targeted scalable computing paradigm should enable new generations of energy-efficient computing systems, outlining a pathway to meet future needs of data intensive computing.

Possible paradigms include but are not limited to analog, probabilistic, nonlinear, reservoir, and quantum neural network computing. Applications that utilize controllable quantum phenomena to address one or more of the following areas are especially encouraged: in-memory computing, neuromorphic computing, reservoir computing, Boltzmann computing, optical computing, or continuous-variable quantum computing.

Exclusions: Applications focused on discrete variable quantum computing or phenomena in conventional and/or bulk materials are not responsive to this topic.

References:

• Basic Research Needs for Microelectronics – Topic is related to “PRD 4: Redefine computing by leveraging unexploited physical phenomena” but limits the scope to https://science.osti.gov/-/media/bes/pdf/reports/2019/BRN_Microelectronics_rpt.pdf controllable quantum phenomena.

• Basic Research Needs for Quantum Materials – Topic is related to “PRD 3: Drive and manipulate quantum effects (coherence, entanglement) in nanostructures for transformative technologies” but limited to technologies for unconventional computing paradigms with the additional requirements as described above.

(b) Development and Workflow Integration of AI/ML Models for Materials and Chemistry Discovery Science Artificial intelligence and machine learning (AI/ML) are opening the door to a new stage of scientific discovery in materials research, one that goes beyond hypothesis-driven approaches and enables data-driven insights into complex physical and chemical systems.

Traditional methods struggle when confronted with the inherent complexity and high dimensionality of strongly correlated, quantum, or multiscale materials. AI/ML can reveal hidden variables, patterns, and mechanisms that are otherwise inaccessible, redefining the relationship between theory, computation, and experiment. However, unlike domains with vast digital resources, materials science faces the challenge of scarcity of data. Experimental data are often costly to acquire, limited in volume, and heterogeneous in form. To achieve transformative progress, AI/ML approaches must be explicitly informed by physics and chemistry. Purely black-box or simulation-only approaches risk overlooking what truly governs material behavior. The most promising approaches are those that embed scientific knowledge into model architecture and close the loop with real experiments, ensuring that predictions are grounded in measurable reality.

This topic invites the development of physics- and chemistry-informed AI/ML methods designed to address a well-defined, BES-relevant scientific challenge using structured, multimodal data (analogous to advances such as AlphaFold). Science cases to be addressed involve the inference of microscopic mechanisms and the prediction of new materials and/or functionalities related to quantum materials and catalytic systems. Applications should address one or more of the Priority Research Directions contained in the following reports: Basic Research Needs for Quantum Materials or Basic Research Needs for Catalysis Science. Proposed models must be applied and validated on real experimental data, not only simulated inputs, to demonstrate their capacity to accelerate genuine discovery. While the central focus is on scientifically informed models, elements of agentic AI, such as large language model–based problem solvers for connecting data streams, running instruments, or generating analysis code, may be incorporated to strengthen workflows. The emphasis of this topic is on developing new AI/ML approaches that combine theoretical and computational methods with experimental validation, to drastically reduce the time-to-model from experimental data.

Exclusions: AI/ML models focused on instrument operations through hardware controls;

AI-assisted/automated experiments; digital twins; AI models that reproduce known laws from existing datasets; AI models focusing on combining existing AI/ML tools; projects focusing only on demonstrating AI-ready datasets (e.g., data processing, compression, and https://science.osti.gov/-/media/bes/pdf/reports/2016/BRN_Quantum_Materials_for-Energy_Relevant_Technology.pdf https://science.osti.gov/-/media/bes/pdf/reports/2016/BRN_Quantum_Materials_for-Energy_Relevant_Technology.pdf https://science.osti.gov/-/media/bes/pdf/reports/2017/BRN_CatalysisScience_rpt.pdf https://science.osti.gov/-/media/bes/pdf/reports/2017/BRN_CatalysisScience_rpt.pdf curation).

References:

• Review of ML concepts with examples of applications of ML in chemical and material physics: “Machine learning and the physical sciences.” G. Carleo, et al., Rev.

Mod. Phys., 91, 045002 (2019). DOI: 10.1103/RevModPhys.91.045002

• Examples of deep learning approaches for extracting Hamiltonian parameters in quantum materials from neutron, x-ray, and microscopy data.

o “Deep learning Hamiltonians from disordered image data in quantum materials.” S. Basak, et al., Phys. Rev. B, 107, 205121 (2023). DOI:

10.1103/PhysRevB.107.205121 o “Capturing dynamical correlations using implicit neural representations.” S.

R. Chitturi, et al., Nat. Commun., 14, 5852 (2023). DOI: 10.1038/s41467-023- 41378-4

(c) Emergent Phenomena of Complex Chemical Systems Emergent phenomena are properties or functions that arise from the collective interactions of simpler components within a system but cannot be fully understood by examining those elements in isolation. This topic invites cross-disciplinary research to create, control, and exploit emergent phenomena and non-equilibrium processes at the molecular level to achieve transformative advances in the performance of energy-relevant chemical systems. The goal is to extend conventional concepts in chemical, biochemical, and geochemical processes — such as well-defined, static structures or minimizing energy conformations — to the complexity of heterogeneity, metastable states, and evolving architectures. This topic seeks to advance molecular level understanding of mechanisms and processes that can translate to knowledge and control of energy relevant processes and chemical phenomena at the system scale.

Three areas of emphasis involve:

• Elucidating the Role of Dynamics at the Component and Systems Levels. Specific focus is on understanding how dynamic processes involving energy transduction or chemical processes across space and time impact systems and their components. These processes include: stimuli-responsiveness and allostery effects across biotic and abiotic systems, external and internal field or gradient formation that provide access to non-equilibrium transient states, and probing the role of energy dissipation and kinetic asymmetry in influencing system function and behavior.

• Mastering the Science of Component Integration. How components interact and integrate under far from equilibrium conditions ultimately dictate behavior at the systems level to facilitate chemical processes. Topics of interest in this space include:

ensemble effects- involving confinement, strain, and others- and their impacts on systems, how structure and energy transfer at component interfaces affects behavior, and leveraging co-design of individual elements to enhance properties at a systems level.

https://doi.org/10.1103/RevModPhys.91.045002 https://doi.org/10.1103/PhysRevB.107.205121 https://doi.org/10.1103/PhysRevB.107.205121 https://doi.org/10.1038/s41467-023-41378-4

• Transforming Chemical Manufacturing with Energy-efficient Systems. Exploiting systems that operate under mild conditions offer the potential to leverage distributed energy and feedstock resources, generate chemical products near the point of their consumption, and enable modular strategies that can operate intermittently. This topic encourages approaches exploiting electrochemical, light-driven, plasma-mediated, or other non-thermal approaches that could enable the synthesis of chemicals vital to domestic manufacturing. Combining multiple energy inputs (e.g.

electrochemical and light-driven) in closely coupled cascade reaction schemes is also within scope.

Exclusions:

• Research based on whole biological cells; however, please note that reaction pathways that incorporate biochemical or molecular biohybrid components are within the scope of this topic.

• Projects that predominantly focus on the production of molecular hydrogen.

• Applied research activities with primary focus on device development and optimization, reactor design, process optimization, or scale-up.

References:

1) The references outline the concepts of system chemistry and emergent phenomena: a) “Understanding Systems Science: A Visual and Integrative Approach.” A. Hieronymi.

Syst. Res., 30, 580 (2013). DOI: 10.1002/sres.2215; b) “Systems Chemistry” G.

Ashkenasy, T. M. Hermans, S. Otto, and A. F. Taylor, Chem. Soc. Rev., 46, 2543 (2017).

DOI: 10.1039/C7CS00117G.

2) Reviews of biohybrid and bioinspired approaches for the design and synthesis of functional complex systems: a) “Biohybrid Systems for Improved Bioinspired, Energy- Relevant Catalysis.” G. Fan, P. Wasuwanich, and A. L. Furst, ChemBioChem., 22, 2353 (2021). DOI: 10.1002/cbic.202100037. b) “ACS Central Science Virtual Issue on Bioinspired Catalysis.” T. R. Ward; ACS Cent. Sci., 5, 1732 (2019). DOI:

10.1021/acscentsci.9b01045.

3) The manuscript summarizes the international workshop conclusions focused on stimulated dynamic catalytic processes to shift kinetic boundaries and equilibrium conditions: “Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis.” M. Monai et al., ChemRxiv, (2025) (Accessed September 12, 2025). DOI: 10.26434/chemrxiv-2025-6czq6.

4) The report discusses impacts of fundamental chemical research on manufacturing:

“The Importance of Chemical Research to the U.S. Economy.” NAS Consensus Report, (2022). DOI: 10.17226/26568.

(d) Fundamental Science for Critical Minerals and Materials (CMM) Despite wide-scale efforts to increase domestic availability of critical minerals and materials (CMMs), the United States remains largely dependent on non-domestic resources for CMM https://onlinelibrary.wiley.com/doi/epdf/10.1002/sres.2215 https://pubs.rsc.org/en/content/articlelanding/2017/cs/c7cs00117g https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.202100037 https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cbic.202100037 https://pubs.acs.org/doi/10.1021/acscentsci.9b01045 https://pubs.acs.org/doi/10.1021/acscentsci.9b01045 https://chemrxiv.org/engage/chemrxiv/article-details/68be8c7423be8e43d6b6198c https://chemrxiv.org/engage/chemrxiv/article-details/68be8c7423be8e43d6b6198c https://nap.nationalacademies.org/catalog/26568/the-importance-of-chemical-research-to-the-us-economy extraction and processing of these non-fuel elements, materials, minerals, or substances.1 A contributing factor to this dependence is that fundamental knowledge gaps exist in understanding related to the chemical and physical mechanisms that underpin selective CMM isolation, recovery, and chemical conversion for processing compatibility.2,3 This topic seeks to identify multidisciplinary research opportunities where innovative molecular mechanisms promote CMM supply chain availability. These advances must consider relevant source variability and/or mechanisms that result in chemical compounds that are compatible with supply chain processing needs (i.e., converts a chemically and/or structurally variable, post-extraction product into a form compatible with processing).

A robust CMM supply chain is characterized by a series of sequential chemical and physical transformations. Each of these stages poses inherent technical and logistical challenges, and distinct potential pathways for CMM loss throughout the supply chain. Proposals are requested in the following areas of emphasis to address these fundamental CMM supply challenges:

• Controlling the Impacts of Source Heterogeneity in the Initial Isolation of CMM. The isolation of a CMM involves converting a primary, secondary, or waste feedstock into a concentrate. This transformation is achieved through a combination of chemical and physical operations that can isolate the valuable CMM from unwanted material, increasing CMM concentration. The goal of this emphasis area goes beyond conventional selectivity and separations processes and aims to uncover unexplored reactions, structures, and mechanisms (e.g. catalytic conversions, controlled chemical reactivity, microenvironments) that could more efficiently and universally convert heterogeneous primary, secondary, or waste feedstock source into concentrated CMM.

• Exploiting the Dynamics of Non-Linear Emergent System Properties for the Selective Capture and Release of CMM. The CMM concentrate proceeds to the extraction stage whereby the CMM is isolated and further concentrated. Ligands and materials are often used to maximize selectivity during this supply chain step but can also lead to CMM loss because of poor release. The goal of this emphasis area is to understand how emergent, non-linear, and dynamic system behaviors can be leveraged to promote both selectivity and release during the extraction step. For example, proximity effects can create collective behavior at an interface or within a material that could be positively leveraged for CMM extraction and/or release.

Unconventional mechanisms of interest include those leveraging non-linear, system perturbations arising from chemical reactivity as well as dynamic molecular properties and structure (chirality, asymmetry, vibrational/rotational degrees of freedom, etc.).

• Advancing Efficient Chemical Conversions for CMM Supply Chain Processing Compatibility. Finally, the isolated CMM undergoes refinement in processing plants, whereby additional chemical conversions and separation steps are performed so that a purified and usable form of the CMM is achieved. Because domestic processing capabilities are limited in handling only certain chemical compositions and/or structures of isolated CMMs, the goal of this emphasis area is to develop biological, chemical, or physical conversion steps to isolate CMM with specific chemical compositions and structures3 that are appropriate for industry processes. In doing so, existing United States processing plants could be utilized for CMM isolates with the stringent quality specifications that are needed for intended applications.

Exclusions:

• Projects that predominately focus on reprocessing or selectivity optimization of chemical ligands, membranes, or sorbents.

• Projects that focus on developing CMM alternatives.

• Applied research activities with a primary focus on device development, engineering challenges, process optimization, reactor design, scale up, or technoeconomic analyses.

References:

1This report provides DOE’s current definition of CMM as well as describes supply chain issues: DOE Critical Minerals and Materials Program, “Report to Congress”, January 2025.

2This reference outlines challenges related to CMM extraction, recovery, and processing in the US including complexities related to feedstock heterogeneity and post separation recovery needs: “Meeting Future U.S. Mineral Resource Needs: The Role of the U.S. Geological Survey Mineral Resources Program”, Washington, DC:

National Academies of Sciences, Engineering, and Medicine (2025). DOI:

10.17226/29068.

3This resource outlines current mineral by mineral details about events, trends, and issues for each mineral commodity as well current domestic industry structure:

“Mineral Commodity Summaries 2025”, US Department of Interior (2025). DOI:

10.3133/mcs2025.

Applications submitted in response to this NOFO must propose fundamental scientific research within the BES mission-space that addresses one or more of the Special Topics and/or BES Reports with associated PRDs/PROs listed above.

The focus of the EFRC program is on fundamental scientific research, therefore applications to this NOFO must not propose applied research and technology development activities. In addition, the purpose of the EFRC program does not include construction (including new buildings or additions to existing buildings), and costs for such activities will not be funded by awards resulting from this NOFO.

Management, Impact, and Output https://www.congress.gov/crs-product/R48149 https://nap.nationalacademies.org/catalog/29068/meeting-future-us-mineral-resource-needs-the-role-of-the https://nap.nationalacademies.org/catalog/29068/meeting-future-us-mineral-resource-needs-the-role-of-the https://pubs.usgs.gov/periodicals/mcs2025/mcs2025.pdf

The Principal Investigator (PI) on the application will serve as the EFRC Director. Each EFRC application must identify a single Director; no co-directorship is allowed. The EFRC Director will serve as the primary contact responsible for communications with the DOE Program Manager on behalf of all personnel in the EFRC. Successful EFRCs will fully exploit a “team science” model, working closely together in an integrated, centrally managed, synergistic center to address a well-defined set of scientific challenges with a clear focus and well-defined 4-year scientific research goals. EFRCs must include a scientific advisory committee.

The primary purpose of the EFRCs is to support integrated, multi-disciplinary teams of researchers performing fundamental science; therefore, dissemination of results through peer-reviewed publications is expected.

A variety of methods are used to regularly assess the ongoing progress of the EFRC program.

It is anticipated that new EFRCs will undergo a management and operations review during their first year and that all EFRCs will undergo a progress review approximately half-way through the funding cycle. These reviews, most likely virtual, may include external peer reviewers.

Meetings

The selected awardees will be expected to attend principal investigators meetings anticipated in 2027 and 2029. Applicants should anticipate a need for travel to effectively communicate with other researchers and request appropriate funding in their budgets.

Multi-Institutional Teams

SC uses two different mechanisms to support teams of multiple institutions.

COLLABORATIVE APPLICATIONS

Collaborative applications (in which each team member submits its own application with a common Project Narrative) will not be accepted under this NOFO.

SUBAWARDS2

Multi-institutional teams must submit one application from a designated lead institution with all other team members proposed as subrecipients.

2 Subawards are made to subrecipients. Both terms are defined in 2 CFR 200.1 (https://www.ecfr.gov) https://www.ecfr.gov/

DOE/National Nuclear Security Administration (NNSA) National Laboratories3, other Federal agencies, and another Federal agency’s FFRDCs4, if participating in a team led by another institution, may be proposed as subrecipients. Note that the value of any such proposed subaward may be removed from any such prime award. DOE may make separate awards to Federally affiliated institutions.

FUNDING REQUIREMENTS

Applications for multi-institutional teams must ensure that that the lead institution requests more funding from DOE than any other team member for each 12-month budget period.

The lead PI of a multi-institutional team must be an employee of the lead institution during the award period.

Open Science

SC is dedicated to promoting the values of openness in Federally supported scientific research, including, but not limited to, ensuring that research may be reproduced and that the results of Federally supported research are made available to other researchers. These objectives may be met through any number of mechanisms including, but not limited to, data access plans, data sharing agreements, the use of archives and repositories, and the use of various licensing schemes.

The use of the phrase “open-source” does not refer to any particular licensing arrangement, but is to be understood as encompassing any arrangement that furthers the objective of openness.

All entities submitting applications to this NOFO must recognize the moral and legal obligations to comply with export controls and policies that limit the transfer of technologies with potential dual use. Applicants are reminded that international activities must comply with nonproliferation, sanction, and other protocols described at https://www.trade.gov/export-solutions.

International activities related to special nuclear materials (SNM) are subject to additional requirements. Please see 10 CFR 810 for further information.

All work proposed under this NOFO must be for basic and fundamental research whose results may be published in scholarly literature. Do not submit applications

3 The phrase “National Laboratories” is used broadly to encompass DOE/NNSA laboratories and sites capable of performing the work described in this NOFO and capable of receiving funds through the DOE Field Work System.

4 An authoritative list of all Federally Funded Research and Development Centers (FFRDCs) may be found at https://www.nsf.gov/statistics/ffrdclist/ https://www.trade.gov/export-solutions https://www.nsf.gov/statistics/ffrdclist/ containing restricted data or unclassified controlled nuclear information as defined in the Atomic Energy Act of 1954, as amended, 42 USC 2011, et seq., 10 CFR 1017, 10

CFR 1045.

B. Program Goals, Objectives, and Priorities

The Office of Science’s (SC) mission is to deliver scientific discoveries and major scientific tools to transform our understanding of nature and advance the energy, economic, and national security of the United States (U.S.). SC is the Nation’s largest Federal sponsor of basic research in the physical sciences and the lead Federal agency supporting fundamental scientific research for our Nation’s energy future.

SC accomplishes its mission and advances national goals by supporting:

• The frontiers of science—exploring nature’s mysteries from the study of fundamental subatomic particles, atoms, and molecules that are the building blocks of the materials of our universe and everything in it to the DNA, proteins, and cells that are the building blocks of life. Each of the programs in SC supports research probing the most fundamental disciplinary questions.

• The 21st Century tools of science—providing the nation’s researchers with 28 state-of-the-art national scientific user facilities, the most advanced tools of modern science, propelling the U.S. to the forefront of science, technology development, and deployment through innovation.

• Science for energy and the environment―paving the knowledge foundation to spur discoveries and innovations for advancing the Department’s mission in energy and environment. SC supports a wide range of funding modalities from single principal investigators to large team-based activities to engage in fundamental research on energy production, conversion, storage, transmission, and use, and on our understanding of the earth systems.

SC is an established leader of the U.S. scientific discovery and innovation enterprise. Over the decades, SC investments and accomplishments in basic research and enabling research capabilities have provided the foundations for new technologies, businesses, and industries, making significant contributions to our nation’s economy, national security, and quality of life.

C. Award Contribution to Goals and Objectives

Awards resulting from this NOFO are intended to increase our understanding of scientific phenomena and address scientific challenges requiring an interdisciplinary team approach.

D. Performance Goals

You will be expected to demonstrate progress toward increasing knowledge in periodic progress reports, principal investigators’ meetings, a midterm review, and through other mechanisms.

E. Substantial Involvement

Not applicable.

F. Program Unallowable Costs

You must apply the cost principles of 2 CFR 200, as modified by 2 CFR 910 and 10 CFR 605, to your application and any resulting award.

G. Citations to Statute and Regulations

The programmatic authorizing statutes and governing regulations are:

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 Section 303 of Public Law 115-246, Department of Energy Research and Innovation Act Section 10102 of Public Law 117-167, CHIPS and Science Act of 2022

Uniform Administrative Requirements, Cost Principles, and Audit Requirements for

Federal…