Opportunity Information: Apply for DE FOA 0000593

  • The Office of Science in the science and technology and other research and development sector is offering a public funding opportunity titled "SciDAC Scientific Computation Application Partnerships in Materials and Chemical 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 Oct 7, 2011 and posted on Oct 7, 2011.
  • Applicants must submit their applications by Mar 12, 2012. (Agency may still review applications by suitable applicants for the remaining/unused allocated funding in 2026.)
  • The funding agency has allocated a total of $6,000,000.00 to eligible and selected applicants.
  • 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 domestic entities are eligible to apply, except other Federal agencies, Federally Funded Research and Development Center (FFRDC) Contractors, and nonprofit organizations described in section 501(c)(4) of the Internal Revenue Code of 1986 that engaged in lobbying activities after December 31, 1995.
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Opportunity Summary:

The SciDAC Scientific Computation Application Partnerships in Materials and Chemical Sciences (DE-FOA-0000593) is a U.S. Department of Energy Office of Science opportunity, under the Basic Energy Sciences (BES) program, aimed at pushing forward high-impact computational research for materials and chemical sciences. The central purpose is to create and apply new algorithms and computational methods that can substantially speed up the discovery of new materials and chemical processes, while also delivering deeper, more predictive scientific understanding of existing materials and processes. A major motivation highlighted in the announcement is alignment with the federal Materials Genome Initiative, which emphasizes reducing the time and cost required to move from materials discovery to deployment by using data, modeling, and computation more effectively.

A key theme of the opportunity is that breakthroughs are expected not just from incremental improvements in existing codes, but from developing fundamentally improved algorithmic and computational approaches. The announcement emphasizes dramatic acceleration, meaning projects should plausibly change what is computationally feasible for materials and chemical simulations, design, or prediction. At the same time, it stresses that these advances are meant to translate into better science outcomes: clearer fundamental understanding, better predictive capability, and improved performance of materials or processes already in use, not merely software engineering for its own sake.

The program is framed around the reality of modern high-performance computing. It explicitly notes that implementing next-generation algorithms on current and future massively parallel supercomputers is difficult and requires coordinated expertise. As a result, the partnership model is central: successful teams are expected to combine domain researchers in materials and chemical sciences with applied mathematicians and computer scientists who can contribute advances in numerical methods, scalable algorithms, parallelization strategies, and performance on large-scale computing architectures. In practical terms, this is a call for collaborative projects that bridge scientific applications and computational science so that new methods can actually run efficiently on massively parallel systems and be adopted by the research community.

From an administrative and funding standpoint, the opportunity is a discretionary funding announcement using a cooperative agreement mechanism, meaning the DOE anticipates substantial involvement during the performance of the project compared with a typical grant. The total estimated funding associated with the announcement is $6,000,000. The funding opportunity lists no explicit award ceiling or floor in the summarized fields. It falls under CFDA 81.049, the Office of Science Financial Assistance Program, within the broader category of science and technology research and development. There is no cost sharing or matching requirement indicated.

Eligibility is broadly open to domestic applicants, described as unrestricted across entity types with specific exclusions. Ineligible applicants include other federal agencies, Federally Funded Research and Development Center (FFRDC) contractors, and 501(c)(4) nonprofit organizations that have engaged in lobbying activities after December 31, 1995. The opportunity was posted on October 7, 2011, with the application closing date of March 12, 2012, and an archive date of June 30, 2012. The announcement references FedConnect as an additional information source for the full posting and related documents.

For applicant support and questions, the listing provides contacts including a grants analyst and several technical and scientific points of contact within the Office of Science. The grants management contact is Pandoria L. Stribbling (pam.stribbling@science.doe.gov, 301-903-4335). Technical and scientific contacts include James W. Davenport (301-903-0035), Mark R. Pederson (301-903-9956), and Ceren Susut Bennett (301-903-0366), with email addresses associated with science.doe.gov.

Frequently Asked Questions (FAQs)

What is the SciDAC Scientific Computation Application Partnerships in Materials and Chemical Sciences opportunity (DE-FOA-0000593)?

It is a U.S. Department of Energy (DOE) Office of Science funding opportunity under the Basic Energy Sciences (BES) program focused on high-impact computational research in materials and chemical sciences. The opportunity emphasizes creating and applying new algorithms and computational methods that can significantly accelerate discovery and improve predictive scientific understanding.

Which DOE office and program are sponsoring this opportunity?

This opportunity is sponsored by the DOE Office of Science under the Basic Energy Sciences (BES) program.

What is the main purpose of this funding opportunity?

The central purpose is to develop and apply new algorithms and computational methods that can substantially speed up the discovery of new materials and chemical processes, while also delivering deeper, more predictive scientific understanding of existing materials and processes.

How does this opportunity relate to the Materials Genome Initiative?

The announcement highlights alignment with the federal Materials Genome Initiative, which focuses on reducing the time and cost to move from materials discovery to deployment by using data, modeling, and computation more effectively.

What kind of advances is DOE expecting from proposed projects?

DOE is looking for breakthroughs that go beyond incremental improvements to existing codes. The emphasis is on fundamentally improved algorithmic and computational approaches that can dramatically accelerate what is computationally feasible for materials and chemical simulations, design, or prediction.

Is this opportunity focused on software engineering alone?

No. The announcement stresses that computational advances should translate into better science outcomes such as clearer fundamental understanding, improved predictive capability, and better performance of materials or processes already in use, rather than software development for its own sake.

Why is a partnership model emphasized?

Implementing next-generation algorithms on current and future massively parallel supercomputers is described as difficult and requiring coordinated expertise. The partnership model is central to bringing together the necessary skills to produce methods that are both scientifically meaningful and able to run efficiently on massively parallel systems.

What types of expertise are teams expected to include?

Teams are expected to combine domain researchers in materials and chemical sciences with applied mathematicians and computer scientists who can contribute advances in numerical methods, scalable algorithms, parallelization strategies, and performance on large-scale computing architectures.

What is meant by "dramatic acceleration" in this announcement?

The opportunity indicates that projects should plausibly change what is computationally feasible for materials and chemical simulations, design, or prediction, rather than producing only modest speedups or minor enhancements.

What funding mechanism is used for this opportunity?

The announcement uses a cooperative agreement mechanism. This indicates DOE anticipates substantial involvement during the performance of the project compared with a typical grant.

How much total funding is associated with this opportunity?

The total estimated funding associated with the announcement is $6,000,000.

Is there an award ceiling or floor listed?

The summarized fields for the opportunity list no explicit award ceiling or award floor.

Is cost sharing or matching required?

No cost sharing or matching requirement is indicated in the provided opportunity information.

What is the CFDA number for this opportunity?

The opportunity falls under CFDA 81.049, the Office of Science Financial Assistance Program.

What is the general program category for this funding opportunity?

It is within the broader category of science and technology research and development.

Who is eligible to apply?

Eligibility is broadly open to domestic applicants and is described as unrestricted across entity types, with specific exclusions.

Who is not eligible to apply?

Ineligible applicants include other federal agencies, Federally Funded Research and Development Center (FFRDC) contractors, and 501(c)(4) nonprofit organizations that have engaged in lobbying activities after December 31, 1995.

What are the key dates for this opportunity?

The opportunity was posted on October 7, 2011. The application closing date is March 12, 2012. The archive date is June 30, 2012.

Where can applicants find additional information or the full posting?

The announcement references FedConnect as an additional information source for the full posting and related documents.

Who is the grants management contact for administrative questions?

The grants management contact listed is Pandoria L. Stribbling. Email: pam.stribbling@science.doe.gov. Phone: 301-903-4335.

Who are the technical and scientific contacts for this opportunity?

The technical and scientific points of contact listed include James W. Davenport (301-903-0035), Mark R. Pederson (301-903-9956), and Ceren Susut Bennett (301-903-0366), with email addresses associated with science.doe.gov.

What is the overarching goal for computing platforms mentioned in the opportunity?

The program is framed around modern high-performance computing and specifically highlights the need for methods that can be implemented effectively on current and future massively parallel supercomputers.

What is the intended impact on the research community?

The opportunity calls for advances that can run efficiently on massively parallel systems and be adopted by the research community, supporting better simulations, design, and predictive capabilities in materials and chemical sciences.

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