Opportunity Information: Apply for DE FOA 0001276

  • The Office of Science in the science and technology and other research and development sector is offering a public funding opportunity titled "Computational Materials Sciences" and is now available to receive applicants.
  • Interested and eligible applicants and submit their applications by referencing the CFDA number(s): 81.049 Office of Science Financial Assistance Program.
  • This funding opportunity was created on Jan 26, 2015 and posted on Jan 26, 2015.
  • Applicants must submit their applications by Apr 17, 2015. (Agency may still review applications by suitable applicants for the remaining/unused allocated funding in 2026.)
  • Eligible applicants include: Unrestricted (i.e., open to any type of entity above), subject to any clarification in text field entitled Additional Information on Eligibility.
  • All types of applicants are eligible to apply except nonprofit organizations described in section 501(c)(4) of the Internal Revenue Code of 1986 that engaged in lobbying activities after December 31, 1995, and subject to the limitations below 1. Domestic Organizations Non DOE/NNSA FFRDCs and Non DOE Government Owned Government Operated (GOGOs) Organizations are eligible to apply for funding as a subawardee (team member), but are not eligible to apply as a prime recipient (lead organization). Federal agencies and instrumentalities (other than DOE) are eligible to apply for funding as a subawardee (team member), but are not eligible to apply as a prime recipient (lead organization). 2. Foreign Organizations All prime recipients (lead organizations) receiving funding under this FOA must be incorporated (or otherwise formed) under the laws of a State or territory of the United States. A foreign entity, with or without a subsidiary or affiliate incorporated (or otherwise formed) under the laws of a state or territory of the United States, may receive funding as a subawardee (team member). 3. Incorporated Consortia Incorporated consortia, which may include domestic and/or foreign entities, are eligible to apply for funding as a prime recipient (lead organization) or subawardee (team member). Each incorporated consortium must have an internal governance structure and a written set of internal rules. Upon request, the consortium must provide a written description of its internal governance structure and its internal rules to the DOE Contracting Officer. Consortia incorporated in foreign countries are not eligible to apply as a prime recipient (please refer to requirement in Foreign Organizations above). 4. Unincorporated Consortia Unincorporated consortia (team arrangements), which may include domestic and foreign entities, must designate one member of the consortium to serve as the prime recipient/consortium representative (lead organization). The prime recipient/consortium representative must be incorporated (or otherwise formed) under the laws of a State or territory of the United States.
Apply for DE FOA 0001276

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Opportunity Summary:

The U.S. Department of Energy (DOE), Office of Science, through the Office of Basic Energy Sciences (BES), is seeking grant applications under the opportunity titled "Computational Materials Sciences" (Funding Opportunity Number DE-FOA-0001276). The focus is on building integrated, multidisciplinary research teams that can push computational materials research from isolated, lab-specific tools into broadly usable, validated community resources. In practical terms, DOE is looking for efforts that produce community codes and shared databases that enable predictive design of functional materials, with an explicit exclusion of structural materials. The intent is to move beyond one-off simulations or single-material case studies and instead develop software, workflows, and data assets that the wider materials community can rely on and build upon.

A central theme of the opportunity is prediction and design: teams are expected to create and validate computational approaches that can accurately model materials phenomena and guide the discovery or optimization of functional materials. Alongside code development, DOE highlights the importance of databases and the infrastructure needed to support them, implying expectations around data quality, curation, validation, and accessibility. The opportunity also encourages approaches that better exploit large datasets, particularly those produced by advanced materials characterization, synthesis and processing efforts, and properties measurements, as well as the large volumes of data generated by high-performance, large-scale computational modeling. This signals an interest in modern data-centric methods, including improved data integration, analytics, and possibly machine learning or informatics techniques, so long as they serve the larger goal of predictive capability and community enablement.

This program is positioned as part of DOE's contribution to the Materials Genome Initiative for Global Competitiveness (MGI), announced in June 2011. The MGI goal is to cut the time from materials discovery to deployment by a factor of two, directly linking materials innovation to stronger U.S. manufacturing competitiveness. Within that context, projects responsive to this FOA should be oriented toward accelerating the overall materials development pipeline, not just advancing theory for its own sake. The emphasis on validated community codes and shared data resources reflects DOE's interest in creating durable, reusable capabilities that can scale impact across many research groups and application areas.

Administratively, this is a discretionary grant opportunity in the science and technology/research and development category under CFDA 81.049 (Office of Science Financial Assistance Program). The FOA indicates no cost sharing or matching requirement. The opportunity was posted January 26, 2015, with an application deadline of April 17, 2015, and an archive date of July 17, 2015. The summary data provided lists estimated total funding and award floor/ceiling as 0, which typically means applicants must consult the full FOA for actual funding levels, award sizes, and the number of expected awards.

Eligibility is broadly open ("unrestricted") with specific limitations. All applicant types may apply except certain nonprofit organizations described in section 501(c)(4) of the Internal Revenue Code that have engaged in lobbying activities after December 31, 1995. Prime recipients (lead organizations) must be U.S.-incorporated (formed under the laws of a U.S. state or territory). Foreign entities may participate as subawardees (team members) but cannot serve as the prime recipient. Similarly, non-DOE/NNSA federally funded research and development centers (FFRDCs) and non-DOE government-owned/government-operated organizations may participate as subawardees but are not eligible to apply as the prime recipient. Other federal agencies (not DOE) can also participate only as subawardees, not as the lead. Consortia are explicitly accommodated: incorporated consortia can apply as prime recipients or subawardees if they have a governance structure and written internal rules (and can provide documentation upon request). Unincorporated consortia must designate a single prime recipient that is U.S.-incorporated.

The full announcement and application instructions are hosted on FedConnect, and applicants are directed there for the official requirements, submission package, and details not included in the brief synopsis. For access issues related to the full announcement, the listed contact is Warren Riley (630-252-2485, warren.riley@science.doe.gov).

Frequently Asked Questions (FAQs): DOE Office of Science (BES) - Computational Materials Sciences (DE-FOA-0001276)

What is the name of this funding opportunity and who is offering it?

The opportunity is titled "Computational Materials Sciences" (Funding Opportunity Number DE-FOA-0001276). It is offered by the U.S. Department of Energy (DOE), Office of Science, through the Office of Basic Energy Sciences (BES).

What is the main purpose of this FOA?

The FOA aims to build integrated, multidisciplinary research teams that move computational materials research beyond isolated, lab-specific tools and toward broadly usable, validated community resources. The emphasis is on creating capabilities the wider materials community can rely on and build upon.

What kinds of outcomes is DOE expecting from funded projects?

DOE is looking for efforts that produce validated community codes and shared databases that enable predictive design of functional materials. The FOA signals a preference for reusable software, workflows, and data assets over one-off simulations or single-material case studies.

Is the program focused on functional materials or structural materials?

The FOA is explicitly focused on functional materials and explicitly excludes structural materials.

What does DOE mean by "community codes" in this context?

Based on the synopsis, "community codes" refers to software tools that are broadly usable and validated, designed to be shared and relied upon by the broader research community rather than being limited to a single group or a single project.

What is the role of databases in this FOA?

Databases are highlighted as a major component of the desired community resources. The synopsis implies expectations around the infrastructure needed to support databases, including data quality, curation, validation, and accessibility so others can use and build on the data assets produced.

Is predictive modeling and materials design a required theme?

Yes. Prediction and design are central themes. Teams are expected to create and validate computational approaches that can accurately model materials phenomena and guide discovery or optimization of functional materials.

Does DOE want single-material demonstrations or broader platforms?

The synopsis indicates DOE wants projects to move beyond one-off simulations or single-material case studies and instead develop broadly useful software, workflows, and data resources that scale impact across many users and use cases.

What types of data does the FOA encourage teams to use or integrate?

The FOA encourages approaches that better exploit large datasets, including data from advanced materials characterization, synthesis and processing efforts, and properties measurements, as well as large volumes of data generated by high-performance, large-scale computational modeling.

Does the FOA mention data-centric or analytics approaches like machine learning?

The synopsis signals interest in modern data-centric methods such as improved data integration and analytics, and it notes the possibility of machine learning or informatics techniques, as long as they serve the broader goals of predictive capability and community enablement.

How does this program relate to the Materials Genome Initiative (MGI)?

This program is positioned as part of DOE's contribution to the Materials Genome Initiative for Global Competitiveness (announced in June 2011). The MGI goal is to cut the time from materials discovery to deployment by a factor of two, linking materials innovation to stronger U.S. manufacturing competitiveness.

What is the CFDA number and program category for this opportunity?

The opportunity is in the science and technology/research and development category under CFDA 81.049, identified as the Office of Science Financial Assistance Program.

Is this a discretionary grant?

Yes. The synopsis describes it as a discretionary grant opportunity.

Is cost sharing or matching required?

No. The FOA indicates there is no cost sharing or matching requirement.

When was the opportunity posted and what were the key dates?

It was posted on January 26, 2015. The application deadline was April 17, 2015. The archive date was July 17, 2015.

The synopsis shows estimated funding and award sizes as 0. What does that mean?

The summary data provided lists estimated total funding and the award floor/ceiling as 0. This typically indicates that applicants need to consult the full FOA for the actual funding levels, expected award sizes, and the number of anticipated awards.

Where do applicants find the full announcement and submission instructions?

The full announcement and application instructions are hosted on FedConnect. Applicants are directed there for official requirements, the submission package, and details not included in the synopsis.

Who is eligible to apply as a prime (lead) recipient?

Eligibility is described as broadly open ("unrestricted") with specific limitations. Prime recipients must be U.S.-incorporated (formed under the laws of a U.S. state or territory).

Are any organizations explicitly ineligible?

Yes. Certain nonprofit organizations described in section 501(c)(4) of the Internal Revenue Code that have engaged in lobbying activities after December 31, 1995 are not eligible.

Can foreign organizations apply?

Foreign entities may participate as subawardees (team members), but they cannot serve as the prime recipient.

Can federally funded research and development centers (FFRDCs) be the prime applicant?

Non-DOE/NNSA federally funded research and development centers (FFRDCs) and non-DOE government-owned/government-operated organizations may participate as subawardees, but they are not eligible to apply as the prime recipient.

Can other federal agencies participate?

Other federal agencies (not DOE) can participate only as subawardees, not as the lead organization.

Are consortia allowed to apply?

Yes. Consortia are explicitly accommodated.

Can an incorporated consortium serve as the prime recipient?

Yes. Incorporated consortia can apply as prime recipients or as subawardees if they have a governance structure and written internal rules. The synopsis notes they should be able to provide documentation upon request.

What if a consortium is not incorporated?

Unincorporated consortia must designate a single prime recipient that is U.S.-incorporated.

Who should be contacted for access issues related to the full announcement?

The listed contact for access issues is Warren Riley at 630-252-2485 or warren.riley@science.doe.gov.

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