DEPARTMENT OF ENERGY OFFICE OF SCIENCE (SC) BASIC …

DEPARTMENT OF ENERGY (DOE) OFFICE OF SCIENCE (SC)

BASIC ENERGY SCIENCES (BES)

COMPUTATIONAL CHEMICAL SCIENCES

FUNDING OPPORTUNITY ANNOUNCEMENT (FOA) NUMBER: DE-FOA-0002608 FOA TYPE: INITIAL

CFDA NUMBER: 81.049

FOA Issue Date: Submission Deadline for Pre-Applications:

Pre-Application Response Date: Submission Deadline for Applications:

November 18, 2021 January 7, 2022 at 5:00 PM Eastern Time A Pre-Application is required February 4, 2022 at 5:00 PM Eastern Time March 25, 2022 at 11:59 PM Eastern Time

Table of Contents

SECTION I ? FUNDING OPPORTUNITY DESCRIPTION.........................................................1 SECTION II ? AWARD INFORMATION .....................................................................................8

A. TYPE OF AWARD INSTRUMENT......................................................................................8 B. ESTIMATED FUNDING .......................................................................................................8 C. MAXIMUM AND MINIMUM AWARD SIZE.....................................................................8 D. EXPECTED NUMBER OF AWARDS..................................................................................8 E. ANTICIPATED AWARD SIZE .............................................................................................9 F. PERIOD OF PERFORMANCE ..............................................................................................9 G. TYPE OF APPLICATION .....................................................................................................9

SECTION III ? ELIGIBILITY INFORMATION .........................................................................10 A. ELIGIBLE APPLICANTS ...................................................................................................10 B. COST SHARING..................................................................................................................11 C. ELIGIBLE INDIVIDUALS..................................................................................................11 D. LIMITATIONS ON SUBMISSIONS...................................................................................11

SECTION IV ? APPLICATION AND SUBMISSION INFORMATION ...................................13 A. ADDRESS TO REQUEST APPLICATION PACKAGE ....................................................13 B. LETTER OF INTENT (LOI) AND PRE-APPLICATION ..................................................13 C. APPLICATION SUBMISSION AND RECEIPT PROCEDURES...........15 D. CONTENT AND APPLICATION FORMS ........................................................................15 E. SUBMISSIONS FROM SUCCESSFUL APPLICANTS .....................................................25 F. SUBMISSION DATES AND TIMES ..................................................................................26

SECTION V - APPLICATION REVIEW INFORMATION........................................................28 A. CRITERIA ............................................................................................................................28 B. REVIEW AND SELECTION PROCESS ............................................................................29 C. ANTICIPATED NOTICE OF SELECTION AND AWARD DATES ................................31

SECTION VI ? AWARD ADMINISTRATION INFORMATION..............................................32 A. AWARD NOTICES..............................................................................................................32 B. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS ..............................32 C. REPORTING ........................................................................................................................33 D. REPORTING OF MATTERS RELATED TO RECIPIENT INTEGRITY AND PERFORMANCE (DECEMBER 2015) ...................................................................................33

SECTION VII - QUESTIONS/AGENCY CONTACTS...............................................................35

A. QUESTIONS ........................................................................................................................35 B. AGENCY CONTACTS ........................................................................................................35

SECTION VIII ? SUPPLEMENTARY MATERIAL...................................................................36 A. HOW-TO GUIDES...............................................................................................................36 B. POLICY PROVISIONS........................................................................................................59 C. ADMINISTRATIVE AND NATIONAL POLICY REQUIREMENTS ..............................60 D. REFERENCE MATERIAL ..................................................................................................69

UPDATES AND REMINDERS

RECOMMENDATION

The Department of Energy (DOE) Office of Science (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.

CURRENT AND PENDING SUPPORT AND BIOGRAPHICAL SKETCHES

The instructions for the content of current and pending support and biographical sketches have changed. Please read the instructions carefully and follow them.

INDIVIDUALS WHO SHOULD NOT SERVE AS MERIT REVIEWERS

Follow the updated instructions in Section VIII and consider the use of the template available at . Do not include this list as part of the biographical sketch.

REPORTING AND ADMINISTRATIVE REQUIREMENTS

DOE is implementing enhanced reporting requirements for applications and awards. Reporting and administrative requirements, including but not limited to those pertaining to other sources of support and potential conflicts of interest or commitment, are subject to change before the Federal award date. The terms and conditions of award will specify changed requirements: Applicants have the right to reject any proposed awards. Terms and conditions may be modified at the time of an award modification: Recipients have the right to reject such modifications and allow an award to expire.

UNIQUE ENTITY IDENTIFIER (UEI)

The Federal Government is transitioning from the Data Universal Numbering System (DUNS), assigned by Dun and Bradstreet at to the UEI, assigned by the System for Award Management at . Information systems including , and PAMS () are being updated: Please follow the on-screen instructions or contact each system's Help Desk for additional information. Detailed information about the transition is available at .

ACKNOWLEDGMENT OF FEDERAL SUPPORT

SC guidance about how its support should be acknowledged is published at .

PUBLIC ACCESS

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Awards made under this FOA are subject to DOE's Public Access Plan (). Full-text version of scientific publications must be made publicly accessible at no charge to readers.

SC STATEMENT OF COMMITMENT

The DOE SC is fully and unconditionally committed to fostering safe, diverse, equitable, and inclusive work, research, and funding environments that value mutual respect and personal integrity. Discrimination and harassment undermine SC's ability to achieve its mission by reducing productivity, discouraging, or inhibiting talent retention and career advancement, and weakening the integrity of the SC enterprise overall. SC does not tolerate discrimination or harassment of any kind, including sexual or non-sexual harassment, bullying, intimidation, violence, threats of violence, retaliation, or other disruptive behavior in the federal workplace, including DOE field site offices, or at national laboratories, scientific user facilities, academic institutions, other institutions receiving SC funding, or other locations where activities funded by SC are carried out. All applicants and collaborators should familiarize themselves with the SC Statement of Commitment available at .

UPDATING YOUR PAMS PROFILE

All applicants are encouraged to update their profiles in the PAMS website at regularly, at least annually, to ensure SC has your most up to date information. The PAMS profile now requires that individuals provide responses to the demographic related fields. SC strongly encourages applicants and awardees, including Principal Investigators (PIs), Co-PIs, and other Key Personnel, to provide their demographic information. By providing your demographic information, you are assisting with SC's continued commitment to advancing diversity, equity, and inclusion in its business practices. Alternatively, for information you wish not to disclose, please select, "Do not wish to provide." Your individual demographic information will not be shared with peer reviewers and the information in your PAMS profile is protected by the requirements established in the Federal Privacy Act of 1974. Aggregate, anonymized demographic information may be shared with confidential review committees who are charged to evaluate the quality and efficacy of SC's business practices. For example, summary statistics of all applicants to or awardees selected from a particular SC FOA may be reviewed by a Committee of Visitors.

PDF GENERATION

The research narrative in an application must be one single machine-readable PDF file that contains the DOE Title Page, project narrative, biographical sketch, current and pending support, bibliography and references cited, facilities and other resources, equipment, data management plan, and other attachments. This single PDF file may not be scanned from a printed document and must be attached in Field 8 on the form. You are strongly encouraged to submit the combined research narrative file through a "Print to PDF" or equivalent process to ensure that all content is visible in one PDF file.

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