Closed · DE-FOA-0002608 · CFDA 81.049 · Discretionary

Computational Chemical Sciences

Federal grant opportunity posted by Office of Science, cataloged on Grants.gov.

$500K-$2M
Award range
Closed
Status
March 25, 2022
Close date
-
Expected awards

The verdict

Computational Chemical Sciences is a closed discretionary listing from Office of Science that offered $500,000 -- $2,000,000. Future funding cycles may be published under the same CFDA number. PlainGrants indexes 414 other opportunities from Office of Science.

$500K-$2M
award range
Closed
application status
81.049
CFDA program
414
other opportunities from Office of Science

Archived opportunity record

Computational Chemical Sciences is closed (last close March 25, 2022). The parent program page for CFDA 81.049 is the reliable place to catch re-announcements. Office of Science still indexes 414 other opportunities here.

According to Grants.gov (extract vintage 2026-08-10), this record reflects the officially published listing. See methodology.

Deadline tracker

Application window closed

Closed March 25, 2022

Posted Nov 18 Closes Mar 25

Est. Total Funding

$19,000,000

Instrument

Grant

Description

The DOE SC program in Basic Energy Sciences (BES) hereby announces its interest in receiving new and renewal applications from small groups (of 2-3 Principal Investigators [PIs]) and integrated multidisciplinary teams (typically from multiple institutions) in Computational Chemical Sciences (CCS). Single-investigator applications are not responsive to the objectives of this FOA. CCS will support basic research to develop validated, open-source codes for modeling and simulation of complex chemical processes and phenomena that will provide fundamental understanding and predictive control of these processes and phenomena through the full use of emerging and planned exascale computing capabilities. CCS focuses on developing capabilities that allow modeling and simulation of new or previously inaccessible complex chemical systems and/or provide dramatic improvements in fidelity, scalability, and throughput. Teams should bring together expertise in domain areas (e.g., electronic structure, chemical dynamics, statistical mechanics, etc.) and other areas important to advance computational tools such as data science, algorithm development, and software architectures. Priority will be given to efforts that address chemical transformations and energy transduction processes across multiple scales in complex environments and systems related to BES-supported basic research in scientific topics underpinning clean-energy technologies and transformative, low carbon manufacturing.CCS will continue to support the DOE Exascale Computing Initiative (ECI). The ECI aims to accelerate the research and development needed to overcome key exascale challenges and maximize benefits of high-performance computing. This FOA continues the BES commitment to ECI by developing open-source codes that can take full advantage of emerging and planned exascale computing facilities.

Catch-all / unrestricted eligibility mark · DE-FOA-0002608

Grants.gov marks Computational Chemical Sciences with a catch-all / unrestricted eligibility code (Unrestricted / see official listing). Read the official announcement text for the real applicant filter — the code alone is not a door list. The extract does not mark applicant cost-sharing as required. Instrument: Grant. Funding-activity code maps to Science and Technology / R&D (ST). This eligibility-code string dominates the Office of Science book (278 peers, 67% of 415).

Code 99
Unrestricted / see official listing

Codes are Grants.gov eligibility category values from the extract vintage 2026-08-10. Confirm the full eligibility statement on the official listing or the Grants.gov eligibility reference.

Official Listing on Grants.gov

View full details, application forms, and submission instructions.

View on Grants.gov

Parent Grant Program

CFDA 81.049

Basic Energy Sciences

U.S. Department of Energy

View program →

Agency Contact

Aaron Holder, Ph.D. Program Manager

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What to do next

Computational Chemical Sciences is closed; use the parent program and agency catalog for the next funding cycle.

  • Parent CFDA 81.049 may publish future NOFOs under the same assistance listing. Open program
  • Basic Energy Sciences indexes 6 Grants.gov listings in this extract. Program profile
  • Office of Science lists 414 other indexed opportunities on PlainGrants. Agency catalog

Opportunity deadlines and eligibility change on Grants.gov; PlainGrants mirrors the extract and is not the submission system.

Disclaimer: This information is sourced from Grants.gov and SAM.gov and is for informational purposes only. Opportunity details, deadlines, and eligibility requirements change frequently. Always verify current information directly on Grants.gov before applying. PlainGrants is not affiliated with any federal agency.

Read our methodology - how this data is sourced, computed, and verified.

Data sourced from the SAM.gov Assistance Listings and Grants.gov. See our methodology for details. Retrieved and formatted by PlainGrants