Opportunity Information: Apply for DE FOA 0001912
The Department of Energy (DOE) Office of Science, Basic Energy Sciences (BES) is soliciting grant applications under the Computational Chemical Sciences (CCS) program to advance fundamental research in computational chemistry and related chemical sciences, with a strong emphasis on high-performance computing and open, reusable research products. The opportunity invites proposals from single principal investigators, small teams of 2 to 3 PIs, and larger center-style efforts that bring together multidisciplinary, often multi-institutional teams. The overall goal is to strengthen the computational foundations needed to understand and predict the behavior of chemical systems, especially by improving the software and data infrastructure that the broader research community relies on.
A central theme of this funding opportunity is the development of validated, publicly accessible computational codes and databases. In practice, this means DOE is looking for projects that produce software tools and data resources that can be shared widely (including open-source code expectations in line with the announcement), are demonstrably correct and benchmarked, and are useful beyond a single laboratory. Alongside code and database development, the program also prioritizes research that creates new methods for making better use of large data sets, particularly to extract new fundamental knowledge from simulations and from advanced characterization data of chemical systems. That focus signals interest in modern data-driven approaches as they apply to chemical discovery and understanding, including improved workflows for integrating computation with experimental or characterization data streams.
The opportunity also explicitly ties CCS to the DOE Exascale Computing Initiative (ECI), which was launched to accelerate research and development needed to overcome major challenges on the path to exascale computing and to ensure scientific applications can take full advantage of leadership-class computing resources. In this call, BES continues its commitment to ECI by supporting open-source codes designed to run efficiently on current petascale systems and to scale to future exascale architectures. In other words, proposals are expected not only to advance chemical science, but also to pay serious attention to computational performance, scalability, and readiness for next-generation supercomputers, so that the resulting tools can deliver major gains as DOE computing capabilities grow.
Administratively, this is a discretionary grant opportunity (Funding Opportunity Number DE-FOA-0001912) in the science and technology research and development category, listed under CFDA 81.049. Eligibility is broadly unrestricted (open to any type of applicant entity), subject to any additional eligibility clarifications in the full announcement. DOE anticipated making about 15 awards, with an award ceiling of $2,000,000 per award. The opportunity was created April 13, 2018, with an original closing date of June 18, 2018.Apply for DE FOA 0001912
- The Department of Energy - Office of Science, Office of Science in the science and technology and other research and development sector is offering a public funding opportunity titled "Computational Chemical Sciences Research" and is now available to receive applicants.
- Interested and eligible applicants and submit their applications by referencing the CFDA number(s): 81.049.
- This funding opportunity was created on Apr 13, 2018.
- Applicants must submit their applications by Jun 18, 2018. (Agency may still review applications by suitable applicants for the remaining/unused allocated funding in 2026.)
- Each selected applicant is eligible to receive up to $2,000,000.00 in funding.
- The number of recipients for this funding is limited to 15 candidate(s).
- 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.
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