DE-FOA-0003602.pdf

Early Career Research Program (ECRP)

Notice of Funding Opportunity (NOFO) Number:

DE-FOA-0003602

NOFO Type: Initial

Assistance Listing: 81.049

NOFO Issue Date: March 3, 2026 Submission Deadline for Pre-Applications:

March 24, 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: April 21, 2026, at 5:00 PM ET Submission Deadline for Applications: June 2, 2026, at 11:59 PM ET

Table of Contents

I. Basic Information

Executive Summary Funding Details Key Facts Key Dates Agency Contact Information Informational Webinar / Office Hours ............................... Error! Bookmark not defined.

Recommendation

II. Eligibility

A. Eligible Applicants B. Cost Sharing C. Eligible Individuals D. Limitations on Submissions

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

DOE SC hereby invites applications for support under the ECRP in the following program areas: Advanced Scientific Computing Research (ASCR); Basic Energy Sciences (BES);

Biological and Environmental Research (BER); Fusion Energy Sciences (FES); High Energy Physics (HEP); Nuclear Physics (NP); Isotope Research and Development and Production (DOE IP). The purpose of this program is to support the development of individual research programs of outstanding scientists early in their careers and to stimulate research careers in the areas supported by SC.

SC’s mission is to deliver the scientific discoveries and major scientific tools to transform our understanding of nature and advance the energy, economic, and national security of the United States. 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:

• Science for energy, economic and national security―building a foundation of scientific and technical knowledge to spur discoveries and innovations for advancing the Department’s mission. 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.

• 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.

Funding Details

Expected total available funding $145 million total, including $79 million in FY 2026 funding and $66 million in outyear funding, subject to the availability of future year appropriations

Expected number of awards 100 Expected total dollar amount of individual awards1

$875,000 for an Institution of Higher Education $2,750,000 for a DOE/NNSA National Laboratory $2,750,000 for an SC Scientific User Facility

Expected award project period 5 years

Key Facts NOFO Title Early Career Research Program (ECRP) NOFO Number DE-FOA-0003602 Announcement Type Initial Assistance Listing 81.049 Statutory Authority The programmatic authorizing statutes 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

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

Technical/Scientific Program Contact

Questions regarding the specific program areas/technical requirements can be directed to the program managers/technical contacts listed for each program within the NOFO.

Administrative Contact (questions about budgets and eligibility)

SC.Early@science.doe.gov mailto:support@grants.gov mailto:sc.pams-helpdesk@science.doe.gov mailto:SC.Early@science.doe.gov

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

In accordance with 2 CFR 910.126, Competition, eligibility for award is restricted to U.S.

Institutions of Higher Education, DOE/NNSA National Laboratories (listed at https://www.energy.gov/national-laboratories), and institutions operating SC Scientific User Facilities (listed at https://science.osti.gov/User-Facilities).

This eligibility restriction is intended to create an opportunity for scientists who are (a) early in their careers, (b) in positions with sufficient permanence to support independent research efforts, and (c) for investigators not at DOE-affiliated institutions, in positions that require working with the students who will become the scientific workforce of the future.

1. DOE/NNSA National Laboratories

DOE/NNSA National Laboratories are eligible to submit applications under this NOFO. 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. If recommended for funding as a proposed subawardee, 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. 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.

Submission of a pre-application (in PAMS) or an application (in Grants.gov) by an authorized institutional representative is a confirmation that the proposed research idea fits within the scope of SC-funded programs at the national laboratory. Proposing research that falls within this category ensures that investigators have the opportunity to belong to or join, at the laboratory’s discretion, funded research groups. Applications from DOE National Laboratories should not: (a) attempt to revive previously terminated research areas within the laboratory, or (b) topically isolate investigators.

Investigators funded under this program are encouraged to charge at least 50% of their time to the award, allowing time to develop or maintain funded collaborations within the lab over the course of the award. Amounts less than 50% should be as close to 50% as possible.

Making sure that investigators have potential connections with SC funded programs encourages the laboratory to actively plan to address funding transition issues that may arise when an award ends.

Eligibility exemptions will not be granted.

https://www.energy.gov/national-laboratories https://science.osti.gov/User-Facilities

2. SC Scientific User Facilities not at a DOE/NNSA National Laboratory

Institutions operating SC Scientific User Facilities are eligible to submit applications under this NOFO. If recommended for funding as a lead applicant, funding will be provided as a financial assistance award to the non-Governmental entity operating the User Facility.

Submission of a pre-application (in PAMS) or an application (in Grants.gov) by an authorized institutional representative is a confirmation that the proposed research idea fits within the scope of SC-funded programs at the User Facility. Proposing research that falls within this category ensures that investigators have the opportunity to belong to or join, at the facility’s discretion, funded research groups. Applications from SC Scientific User Facilities should not (a) attempt to revive previously terminated research areas within the facility or (b) topically isolate investigators.

Investigators funded under this program are encouraged to charge at least 50% of their time to the award, allowing time to develop or maintain funded collaborations within the facility over the course of the award. Amounts less than 50% should be as close to 50% as possible.

Making sure that investigators have potential connections with SC funded programs encourages the facility to actively plan to address funding transition issues that may arise when an award ends.

Eligibility exemptions will not be granted.

3. Non-DOE/NNSA FFRDCs

Non-DOE/NNSA FFRDCs are neither eligible to submit applications under this NOFO nor to be proposed as subrecipients under another organization’s application.

4. Other Federal Agencies

Other Federal Agencies are neither eligible to submit applications under this NOFO nor to be proposed as subrecipients under another organization’s application.

Notes for applicants of all types:

Eligibility is restricted to the above entities due to the requirement for an applicant institution to have already made a career commitment to individuals as exemplified by putting them on the tenure track or in a permanent position at a national laboratory or an SC Scientific User Facility. Non-tenure-track positions and fellowships lack the expected permanence required by the ECRP. Outside of DOE/NNSA National Laboratories and SC Scientific User Facilities, tenure track faculty positions at academic institutions involve a long-standing growth and evaluation process committed to by the institution. Achieving tenure is a uniquely academic pursuit: No equivalent positions exist in industry or non-profit organizations.

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.

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 or their subcontractors at any tier. DOE/NNSA National Laboratories 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.

Awards under the Early Career Research Program must be under the sole and indivisible leadership of the PI. Other senior or key personnel may be proposed provided their efforts in the research are clearly and unambiguously under the direction and supervision of the PI.

Other senior or key personnel must commit less time and effort and request less support than the PI. SC’s intent is to support the PI’s development of an independent research career. The presence of a co-PI – or substantial support for other senior or key personnel – is incompatible with this intent. There can be no co-PIs. Applications including co-PIs may be declined without review. A Co-PI is an individual designated by the applicant as sharing, or being delegated, a significant aspect of the PI’s authority and responsibility for the proposed project as a whole. Not all PIs on subawards or collaborative proposal submissions are necessarily co-PIs on the project as a whole.

PIs who have received awards previously under the SC ECRP are not eligible. PIs of early career awards funded by other agencies or entities are eligible, but the proposed research must have a scope different from that already funded by the other organization.

No more than 10 years can have passed between the year the PI’s Ph.D. was awarded and the calendar year at the start of the Federal fiscal year in which this NOFO is released. For the present competition, those who received doctorates on or after January 1, 2015, are eligible. If a PI has multiple doctorates, the discipline of the one they have earned within the 10-year eligibility window must be relevant to the proposed research.

Extensions to eligibility due to major life events (three months or longer) must be validated by a letter from the university dean, research vice president, laboratory division director, or equivalent official. The letter must be included in the pre-application.

PIs from Institutions of Higher Education, DOE/NNSA National Laboratories, and SC Scientific User Facilities must adhere to the respective eligibility standards below.

The eligibility requirements improve the quality of applications submitted and encourage those who are strong candidates to submit applications to the program.

1. PIs from Institution of Higher Education

The PI must be an untenured Assistant Professor on the tenure track or an untenured Associate Professor on the tenure track at a U.S. academic institution where the application is originating from and as of the deadline for the application. The PI must be employed in the eligible position as of the closing date for this NOFO. If a PI has multiple doctorates, the discipline of the one they have earned within the 10-year eligibility window should be relevant to the proposed research.

2. PIs from DOE/NNSA National Laboratories

The PI must be a full-time, permanent, non-postdoctoral national laboratory employee as of the deadline for the application. If a PI has multiple doctorates, the discipline of the one they have earned within the 10-year eligibility window should be relevant to the proposed research.

3. PIs from SC Scientific User Facilities not at a DOE/NNSA National Laboratory

The PI must be a full-time, permanent, non-postdoctoral user facility employee as of the deadline for the application. If a PI has multiple doctorates, the discipline of the one they have earned within the 10-year eligibility window should be relevant to the proposed research.

D. Limitations on Submissions

While there is no limit on the number of pre-applications from a DOE/NNSA National Laboratory or an SC Scientific User Facility in a given year, each laboratory or user facility is responsible for ensuring that the research ideas submitted in its pre-applications fit within the scope of SC-funded programs at the national laboratory or the user facility.

LIMITATIONS ON PI

Only one pre-application on behalf of a PI may be submitted in any given SC ECRP competition. A PI may not submit an application in more than three SC ECRP competitions.

Participation in the competition is defined as submission of a full application that completed the review/decision process. In rare cases, it is necessary to withdraw an application; an application withdrawn prior to it being officially declined will not count as a submission.

Likewise, an application declined without merit review by the DOE SC will not count as a submission.

III. Program Description

A. Purpose

The DOE SC hereby invites applications for support under the ECRP in the following program areas: Advanced Scientific Computing Research (ASCR); Basic Energy Sciences (BES); Biological and Environmental Research (BER); Fusion Energy Sciences (FES); High Energy Physics (HEP); Nuclear Physics (NP); Isotope Research and Development and Production (DOE IP). The purpose of this program is to support the development of individual research programs of outstanding scientists early in their careers and to stimulate research careers in the areas supported by SC.

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.

• Science for energy, economic and national security―building a foundation of scientific and technical knowledge to spur discoveries and innovations for advancing the Department’s mission. 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.

• 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.

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.

ECRP opportunities exist in the following SC research programs. Additional details about each program, websites, and technical points of contact are provided in the materials that follow.

Advanced Scientific Computing Research (ASCR)

(1) Extreme-Scale Applied Mathematics for Scientific Computing

(2) Scalable Scientific Artificial Intelligence and Automation

(3) Quantum Computing and Networking

Basic Energy Sciences (BES)

(1) Materials Chemistry

(2) Biomolecular Materials

(3) Synthesis and Processing Science

(4) Experimental Condensed Matter Physics

(5) Theoretical Condensed Matter Physics

(6) Physical Behavior of Materials

(7) Mechanical Behavior and Radiation Effects

(8) Quantum Information Science in Materials Sciences and Engineering (QIS-MSE)

(9) X-ray Scattering

(10) Neutron Scattering

(11) Electron and Scanning Probe Microscopies

(12) Atomic, Molecular, and Optical Sciences (AMOS)

(13) Gas Phase Chemical Physics (GPCP)

(14) Computational and Theoretical Chemistry

(15) Condensed Phase and Interfacial Molecular Science (CPIMS)

(16) Quantum Information Science Research in Chemical Sciences, Geosciences, and Biosciences (QIS-CSGB)

(17) Catalysis Science

(18) Separation Science (SEP)

(19) Heavy Element Chemistry (HEC)

(20) Geosciences (GEO)

(21) Photochemistry and Radiation Chemistry

(22) Photosynthetic Systems

(23) Physical Biosciences

(24) Accelerator and Detector Research

(25) Instrumentation and Technique Development for BES User Facilities

Biological and Environmental Research (BER)

(1) Systems Biology Research to Advance Bioenergy Crop Production

(2) Energy, Land, and Human Interdependencies in Coastal-Urban or Coastal-Rural Systems within Earth and Environmental Systems Modeling (EESM)

Fusion Energy Sciences (FES)

(1) Toroidal Long Pulse: Tokamak and Stellarator Research

(2) Compact Toroidal Concepts Research

(3) Magnetic Fusion Energy Science Theory and Simulation

(4) General Plasma Science Experiment and Theory

(5) Fusion Nuclear Science

(6) Materials Research for Fusion

(7) Artificial Intelligence and Machine Learning for Fusion Energy Sciences

High Energy Physics (HEP)

(1) Experimental Research at the Energy Frontier in High Energy Physics

(2) Experimental Research at the Intensity Frontier in High Energy Physics

(3) Experimental Research at the Cosmic Frontier in High Energy Physics

(4) Theoretical Research in High Energy Physics

(5) Accelerator Science and Technology Research & Development in High Energy Physics

(6) Instrumentation and Detector R&D in High Energy Physics

(7) Computational Research in High Energy Physics

(8) Quantum Information Science in High Energy Physics (HEP-QIS)

(9) Accelerator Stewardship and Accelerator Production

Nuclear Physics (NP)

(1) Medium Energy Nuclear Physics

(2) Heavy Ion Nuclear Physics

(3) Nuclear Structure and Nuclear Astrophysics

(4) Fundamental Symmetries

(5) Nuclear Theory

(6) Nuclear Theory Computing

(7) Nuclear Data

(8) Accelerator Research and Development for NP Facilities

(9) Quantum Information Science for Nuclear Physics Research

Isotope R&D and Production (DOE IP)

(1) Targetry and Isotope Production Research

(2) Nuclear and Radiochemical Separation, Purification, and Radiochemical Synthesis

(3) Biological Tracers, Imaging and Therapeutics

Advanced Scientific Computing Research (ASCR) Program Website: https://www.energy.gov/science/ascr/advanced-scientific-computing-research or https://science.osti.gov/ascr

The Advanced Scientific Computing Research (ASCR) program supports research in applied mathematics, computer science and networking, and artificial intelligence, including leveraging the latest quantum computing and networking approaches; delivers the most advanced computational scientific applications in partnership with disciplinary science;

advances computing and networking capabilities; and develops future generations of computing hardware and tools for science, in partnership with the research community and U.S. industry. The program supports the development, maintenance, and operation of first-of-a-kind large-scale high-performance computing, network and data scientific user https://www.energy.gov/science/ascr/advanced-scientific-computing-research https://www.energy.gov/science/ascr/advanced-scientific-computing-research https://science.osti.gov/ascr facilities, including the Leadership Computing Facilities at Oak Ridge and Argonne National Laboratories, the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory, and the Energy Sciences Network; and future computing and networking technology testbeds for artificial intelligence, quantum, analog, and other computing.

Proposed research under ASCR for the ECRP must be responsive to one of the specific topic areas below. Pre-applications must clearly articulate the main scientific motivations and barriers to progress, the technical basis for overcoming those barriers, and the key insights or novel approaches for addressing the scientific and technical challenges.

The specific topic areas of interest are:

(1) Extreme-Scale Applied Mathematics for Scientific Computing Technical Contact: David Rabson, david.rabson@science.doe.gov

The scientific computing research community faces a broad array of challenges in the development of high-performance algorithms and solvers for emerging computing architectures. Because algorithms, solvers, and decision support methods can dominate the overall execution time of computational and data science applications, research in developing efficient, robust, resilient, and portable techniques is essential for scientific advances over the next decade.

Research areas of interest include novel approaches for addressing grand challenges:

1. High computational and communication complexity and the development of efficient algorithms;

2. Better algorithm scalability for high-performance computing;

3. Reduced ill-conditioning and sensitivity for inverse problems; and

4. Improved algorithm reliability and robustness to noise on future architectures where extreme parallelism, data placement and movement, resilience, and extreme heterogeneity may be significant considerations.

Recent ASCR workshop reports on “Randomized Algorithms for Scientific Computing” [1] and "Inverse Methods for Complex Systems under Uncertainty" [2] describe some of the kinds of algorithms and research directions that are in scope for this topic area.

Pre-applications that are out of scope for sub-topic (1) include

• Research that does not address one or more of the four grand challenges described above;

• Research that does not address creating a body of knowledge and understanding that will inform future advances in extreme-scale science;

• Proposed research that does not clearly articulate the main scientific motivations and barriers to progress, the technical basis for overcoming those barriers, and the key insights or novel approaches for addressing the scientific and technical challenges; and mailto:david.rabson@science.doe.gov

• Research in cryptography algorithms.

• Research into AI or its scientific applications, which should be submitted instead under topic (2) below;

• Research into quantum computing, quantum networking, or their applications in science, which should instead be submitted under topic (3) below.

References:

1. A. Buluc et al., Randomized Algorithms for Scientific Computing (2021), https://doi.org/10.2172/1807223.

2. J. Donatelli et al., Basic Research Needs for Inverse Methods of Complex Systems under Uncertainty (2025), https://doi.org/10.2172/2583339.

(2) Scalable Scientific Artificial Intelligence and Automation Technical Contact: Ravinder Kapoor, Ravinder.Kapoor@science.doe.gov

This topic focuses on the research and development of scientific artificial intelligence (AI) in two different scenarios: models and analysis 1) for large-scale distributed data sets that occur without moving the data (static), and 2) in real-time, streaming environments (dynamic). As the scientific process is increasingly accelerated by AI, scientific AI innovation is needed not only on HPC systems but also at the edge and in automated systems; and digital twins of scientific edge systems, instrumentation, and even entire laboratories might play an important role in enabling future AI development. The design, build, and training of physical AI systems for advancing and accelerating scientific discovery introduces a new era of AI/ML. The topic encompasses

• The rigorous mathematical and computationally efficient approaches are needed for analyzing and extracting information and insight from large-scale data relevant to the DOE missions (see PRD #4 from the Scientific Machine Learning workshop [2]);

• Hardware/software co-design, which is a method for designing and/or adapting both hardware and software design as part of a holistic process, for efficiently executing scientific AI algorithms; and

• Advancing the science of autonomous and semi-autonomous robotic systems tightly integrated with advanced AI/ML, high-performance computing (HPC), and real-time sensor data fusion to accelerate scientific discovery.

Research areas that are out of scope for this topic include:

• Approaches that apply scientific AI to a new application, rather than advancing fundamental aspects of scientific AI and/or automation.

• Biomedical, agricultural, warehouse, or consumer robotics use-cases unrelated to DOE missions.

• Hardware refresh, commercial deployment, or routine engineering lacking new scientific insight.

• Pure teleoperation without a pathway to scalable autonomy.

https://doi.org/10.2172/1807223 https://doi.org/10.2172/2583339 mailto:Ravinder.Kapoor@science.doe.gov

• Work whose main deliverable is a product or service rather than fundamental knowledge.

• Cyber-physical security or facility-management projects without experiment-centric autonomy goals.

• Research into quantum computing, quantum networking, or their applications in science, which should instead be submitted under topic (3) below.

References:

1. Basic Research Needs for Scientific Machine Learning: Core Technologies for Artificial

Intelligence, https://www.osti.gov/servlets/purl/1478744/

2. Report for the 2022 Workshop Series “Advanced Research Directions on AI for Science, Energy and Security,”https://www.anl.gov/sites/www/files/2023-06/AI4SESReport- 2023-v6.pdf

3. James Ahrens, Amber Boehnlein, Rich Carlson, Joshua Elliot, Kjiersten Fagnan, Nicola Ferrier, Ian Foster, Lee Gimpel, John Shalf, Dan Ratner. “Envisioning Science in 2050”.

United States Department of Energy, Advanced Scientific Computing Research, 2022.

doi:10.2172/1871683 ( https://www.osti.gov/servlets/purl/1871683 )

4. ASCR Integrated Research Infrastructure Task Force. Toward a Seamless Integration of Computing, Experimental, and Observational Science Facilities: A Blueprint to Accelerate Discovery. USDOE Office of Science (SC), Washington, DC (United States).

Advanced Scientific Computing Research (ASCR), 2021.

(https://www.osti.gov/servlets/purl/1863562)

(3) Quantum Computing and Networking Technical Contact: Marco Fornari, Marco.Fornari@science.doe.gov, Pavel Lougovski, Pavel.Lougovski@science.doe.gov

This topic involves innovative research in the area of quantum technologies ––computing or/and networking–– that integrate computer science and applied mathematics concepts to address obstacles hindering the demonstration of quantum utility and the application of quantum technology to advance the DOE and ASCR mission. Possible areas include the development of modules of end-to-end software toolchains aimed to program and control quantum computing systems at scale, or/and the understanding of utility and new applications of quantum networking concepts, systems, and protocols. Research should be backed by rigorous theory and should delineate a path to success with clear metric and milestones. Engagement with quantum computing and quantum networking ASCR testbeds is encouraged.

Topics that are out of scope include:

• Pre-applications and applications that do not address the specific topics described above,

• Development of new candidate physical qubit systems and improvements to physical qubits,

• Quantum key distribution, https://www.osti.gov/servlets/purl/1478744/ https://www.anl.gov/sites/www/files/2023-06/AI4SESReport-2023-v6.pdf https://www.anl.gov/sites/www/files/2023-06/AI4SESReport-2023-v6.pdf https://www.osti.gov/servlets/purl/1871683 https://www.osti.gov/servlets/purl/1863562 mailto:Marco.Fornari@science.doe.gov mailto:Pavel.Lougovski@science.doe.gov

• Cryptography and cryptanalysis,

• Projects that are duplicative of or competitive with industry.

References:

1. “Report for the ASCR Workshop on Basic Research Needs in Quantum Computing and

Networking,” https://doi.org/10.2172/2001045, July 2023.

Basic Energy Sciences (BES) Program Website: https://www.energy.gov/science/bes/basic-energy-sciences or https://science.osti.gov/bes/

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.

More detailed information about BES sponsored research can be found at the BES website listed above. There you will find BES-sponsored workshop reports that address the current status and possible future directions of some important research areas. Also, PI Meetings Reports contain abstracts of recent BES-supported research in each topical area. Finally, the websites of individual BES Divisions may also be helpful.

The following web pages are listed for convenience:

a. BES Workshop Reports: https://science.osti.gov/bes/community-resources/reports/

b. Materials Sciences and Engineering Division PI Meetings:

https://science.osti.gov/bes/mse/principal-investigators-meetings/

c. Chemical Sciences, Geosciences, & Biosciences Division PI Meetings:

https://science.osti.gov/bes/csgb/principal-investigators-meetings/

d. Scientific User Facilities Division web page: https://science.osti.gov/bes/suf/

Proposed research must be responsive to a supported topic in one of the core research areas listed below. Many of the core research areas limit early career Applications to a subset of topics within their regular research activities. In those cases, the intention is to rotate topics on an annual basis.

(1) Materials Chemistry Technical Contact: Christopher Chervin, Christopher.Chervin@science.doe.gov (Select Christopher Chervin in PAMS) and Craig Henderson, Craig.Henderson@science.doe.gov https://doi.org/10.2172/2001045 https://www.energy.gov/science/bes/basic-energy-sciences https://science.osti.gov/bes/ https://science.osti.gov/bes/community-resources/reports/ https://science.osti.gov/bes/mse/principal-investigators-meetings/ https://science.osti.gov/bes/csgb/principal-investigators-meetings/ https://science.osti.gov/bes/suf/ mailto:Christopher.Chervin@science.doe.gov mailto:Craig.Henderson@science.doe.gov

This program supports scientific research on materials with a focus on the chemical synthesis, chemical control, and chemical dynamics of composition and structure and a view to elucidating chemical aspects of materials’ structure-property relationships and resulting functionality. The major programmatic focus is on the discovery, design and synthesis of novel, energy-relevant materials that span length scales beyond molecular, from which the consequent materials properties and functionalities emerge. The desired outcome is fundamental knowledge of the chemistry of materials, which may be widely applied to the development of next-generation materials to provide the foundations for new energy technologies.

Applications MUST pose scientific questions and propose hypothesis-driven research leading to scientific understanding of chemical phenomena observed to play a role in the synthesis, function, or degradation of energy-relevant materials. Applications will be evaluated based on their ability to formulate and address 'why' questions related to materials chemistry phenomena, prioritizing causal explanations over correlative observations.

Further, to be considered for this year’s ECRP, applications must propose basic research in one of these three (3) topical areas:

• Applied Materials Theory – New theoretical approaches to predict chemistry-related materials synthesis, properties, and/or functionality

• Materials Chemistry Dynamics – Understand the evolution and control of the composition, structure, and/or chemistry-related properties of materials in operating environments

• Chemical Synthetic Methodology – New synthetic methodology for energy-relevant materials that transform materials synthesis beyond incremental improvements of established methods.

For any of these topics, applications that propose materials chemistry research aimed primarily at electrochemical energy storage technologies, including ion transport properties of soft matter, will not be supported this year. The Materials Chemistry program does NOT support research on heterogeneous catalysis or otherwise on the molecular-scale mechanism of electrocatalysis. Additionally, the Materials Chemistry program does NOT support applications aimed primarily at improvement, optimization, or tuning of material properties for any application or as the basis for generating predictive design rules.

For DOE national laboratory applicants, the proposed research must fit within the BES Materials Sciences and Engineering (MSE) Division funded programs at that laboratory.

(2) Biomolecular Materials Technical Contact: Aura Gimm, Aura.Gimm@science.doe.gov

This activity supports fundamental materials science research in the discovery, design and synthesis of functional synthetic materials and complex structures based on principles and concepts of biology. Biology provides a blueprint for translating atomic and nanoscale phenomena into mesoscale materials that display complex yet well-coordinated collective mailto:Aura.Gimm@science.doe.gov behavior. The major programmatic direction is on the science-driven creation of resilient materials and multiscale systems that exhibit well-coordinated functionality and information content approaching that of biological materials but capable of functioning under harsher, non-biological environments.

Biomolecular Materials research activity seeks 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 synthesis approaches and unconventional assembly pathways are sought to accelerate discovery/design of materials with transformative impacts on advanced manufacturing, and energy transfer and storage technologies. An area of emphasis will be activities to understand and control assembly mechanisms to seamlessly integrate capabilities developed over one length scale across multiple length scales as the material is constructed. Included is the development of predictive models and AI/ML for data-driven science that accelerate materials discovery and support fundamental science to direct energy efficient scalable synthesis with real-time adaptive control. Applications MUST propose hypothesis-driven research with clear connections to biological principles.

Two separate topics (A and B shown below) are planned for alternate fiscal years in pursuit of these goals. Science-driven coupling of theory and experiment to achieve Topic objectives are encouraged. For this announcement, only applications focused on Topic B will be considered.

• Topic A (Alternate years): The specific focus will be on fundamental materials science underpinning design of next-generation materials and systems that incorporate low-energy mechanisms found in biology for electrical and thermal energy transformation and/or ion transport with programmable selectivity based on biophysical gating.

• Topic B (This year): The focus will be on control of fundamental mechanisms for precise synthesis and assembly, including self-replication approaches for multiscale materials and systems that self-regulate structure repair, based on biological principles.

Hierarchical materials assembly strategies and effective temporal/spatial control of biomolecular building blocks will be emphasized.

For both topics, bio-centric research will not be supported, including activities focused on understanding underlying biological mechanisms, creation of bio-hybrid materials, or use of living cells as materials or as molecular factory. 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 including device fabrication, sensor development, or tissue engineering. The program will not support biological or biomedical research.

For DOE national laboratory applicants, the proposed research must fit within the BES Materials Sciences and Engineering (MSE) Division funded programs at the laboratory of the applicant.

(3) Synthesis and Processing Science Technical Contact: Shawn Chen, shawn.chen@science.doe.gov

This program supports basic scientific research on materials to understand the physical principles that underpin materials synthesis and processing including diffusion, nucleation, and phase transitions and diagrams, often using in situ diagnostics and new techniques. An important element of this activity is the use of real-time monitoring tools that probe the dynamic environment and the progression of structure and properties as a material is formed. This information is essential to the physical understanding of the underlying mechanisms that help gain atomic level control in materials synthesis and processing.

Recent BES Basic Research Needs (and other) workshops and reports, particularly the reports on Synthesis Science and Transformative Manufacturing, have identified the needs and challenges in the science of synthesis and processing that are relevant to energy materials and technologies.

For this year’s ECRP, proposed research must focus on hypothesis driven research that pursues new fundamental understanding and creative approaches that underpin the scientific foundation for the science of synthesis and processing. This year, applications must focus on the prediction of phase diagrams and the ability to change such phase spaces in real-time via applied external fields for metastable energy relevant materials. Additionally, applications in this program are encouraged to include complementary in-situ characterization and modeling techniques to achieve a detailed understanding of the onset of crystal growth, with the potential to expand fundamental nucleation and growth theory for multicomponent materials. The focus of the research should be on materials discovery and design by physical means, which is complementary to the BES Materials Chemistry and Biomolecular Materials research activities, where chemical and bio-inspired approaches are emphasized.

Applications focusing on the following areas will not be supported this year:

• Remote epitaxy or van der Waals epitaxy.

• 2D Membranes.

• Wafer scale deposition.

Additionally, the program does not support applications that involve biological materials or applications aimed at optimization of material properties for specific applications. The program will not support applications with a primary goal of engineering development, device fabrication, nanoparticle synthesis, tribology, fluid dynamics, or projects using advanced manufacturing techniques without emphasizing the potential advances in fundamental science.

mailto:shawn.chen@science.doe.gov https://science.osti.gov/-/media/bes/pdf/reports/2017/BRN_SS_Rpt_web.pdf https://science.osti.gov/-/media/bes/pdf/reports/2020/Manufacturing_BRN_Report_Combined.pdf

For DOE national laboratory applicants, the proposed research must fit within the BES Materials Sciences and Engineering (MSE) Division funded programs at the laboratory of the applicant.

(4) Experimental Condensed Matter Physics Technical Contact: Claudia Cantoni, claudia.cantoni@science.doe.gov

The Experimental Condensed Matter Physics (ECMP) program supports research that will advance our fundamental understanding of the relationships between intrinsic electronic structure and the properties of complex materials.

This year the Early Career NOFO in ECMP will focus on quantum materials in the form of low-dimensional systems like 2D materials and heterostructures, wherein fundamental electronic, lattice, spin, and valley degree of freedom are investigated and controlled to add functionality. Examples of material forms of interest are deposited or exfoliated monolayers, heterostructures comprising few-layer systems, nanowires, nanodots, and their combination with 2D structures. Systems requiring the use of a bulk substrate for deposition or assembly but addressing 2D physics are considered responsive.

To be considered responsive, applications must propose fundamental research in one of the following topics:

1. emergent fractional quasiparticles as realized in topological superconductors, fractional

Chern insulators, and chiral spin liquid candidates;

2. flat band systems and unconventional superconductivity;

3. hybrid quasiparticles for energy transfer and transduction;

4. 2D topological quantum magnets;

5. ferroelectric and multiferroic 2D materials;

6. organic-inorganic hybrid materials, including interfacial spin transfer effects and 2D material functionalization via molecular adsorption or intercalation.

For any of the topics encouraged, ECMP welcomes the incorporation of computational tools and domain aware scientific machine learning algorithms to aid the interpretation of experiments and/or predictions of material properties.

The ECMP Program does not support applications on electrochemistry, or photovoltaic materials; nor does it support projects aimed at materials and/or device optimization, or metrology. In addition, the ECMP Early Career Program will NOT accept applications on topics in the following areas: conventional semiconductors, heavy fermion (non-topological) superconductivity, quantum Hall physics in conventional semiconductor materials, cuprate superconductivity, and cold atom physics. Bulk materials and single crystals, including layered and van der Waals 3D materials will NOT be considered responsive to this year’s call but are anticipated to be the focus of next year’s call.

mailto:claudia.cantoni@science.doe.gov the applicant.

(5) Theoretical Condensed Matter Physics Technical Contacts: Matthias Graf, Matthias.Graf@science.doe.gov and Claudia Mewes, Claudia.Mewes@science.doe.gov (Select Claudia Mewes in PAMS)

This program supports research in theoretical condensed matter physics developing quantum methods and techniques for quantum materials, materials discovery and design, out-of-equilibrium quantum dynamics, materials theory related to energy efficient technologies, and materials design of alternates to critical materials/minerals. Research spans from analytical to computational approaches, including data-driven and physics-guided AI/ML, with a strong emphasis on theory, methods, and technique development, as well as prediction and interpretation of novel quantum phenomena. Physics-guided AI/ML approaches must combine both AI/ML models and physics-based models.

For the ECRP, two separate topics (A and B shown below) are planned for alternate fiscal years. For this announcement, only applications focused on Topic B will be considered. Applications on Topic A will NOT be considered responsive to this year’s

NOFO.

• Topic A (alternate years): Computational discovery and design of functional materials with unique physical properties, including methods and algorithms development.

• Topic B (this year): Development of theories and methods to understand (i) materials with emergent and ordered magnetic, ferroelectric, and/or superconducting properties, including their dynamics, or (ii) the role critical materials/minerals (e.g., rare earth elements) play in functional materials.

Exclusions: Applications focusing solely on high-throughput calculations, the application of existing AI/ML tools, the creation of a database, classical transport, classical molecular dynamics, optimization of physical properties, quantum phase transitions, and/or fractional quantum Hall effect are excluded. Excluded are applications on molecules, cold atoms, ionic liquids, electrolytes, batteries, catalysts, soft matter, polymers, glasses, structural materials, and granular materials.

For DOE national laboratory applicants, the proposed research must fit within the BES Materials Sciences and Engineering (MSE) Division funded programs at the laboratory of the applicant.

(6) Physical Behavior of Materials Technical Contact: Tim Mewes, tim.mewes@science.doe.gov mailto:Matthias.Graf@science.doe.gov mailto:Claudia.Mewes@science.doe.gov mailto:tim.mewes@science.doe.gov

The Physical Behavior of Materials (PBM) Program supports hypothesis-driven basic research that aims to advance understanding of fundamental processes that take place in materials and in response to external stimuli, such as temperature, pressure, electromagnetic fields, chemical dopants and disorder, strain, and the proximity effects of surfaces and interfaces. The program supports diverse research including two-dimensional (2D) materials and heterostructures, spintronics and magnetic, plasmonics, nanophotonics, and other complex and disordered systems.

This year, applications to the program must focus on basic research in opto-spintronics that combines spintronics and optoelectronics. Of particular interest are light-matter interactions on magnetically ordered semiconducting van der Waals materials that are sensitive to external stimuli, which have potential for use as atomically thin opto-spintronic device architectures.