| Funding Opportunity ID: | 329588 | | Opportunity Number: | DE-FOA-0002426 | | Opportunity Title: | Computational Chemical Sciences | | Opportunity Category: | Discretionary | | Opportunity Category Explanation: | | | Funding Instrument Type: | Grant | | Category of Funding Activity: | Science and Technology and other Research and Development | | Category Explanation: | | | CFDA Number(s): | 81.049 | | Eligible Applicants: | Unrestricted (i.e., open to any type of entity above), subject to any clarification in text field entitled “Additional Information on Eligibility” | | Additional Information on Eligibility: | | | Agency Code: | PAMS-SC | | Agency Name: | Department of Energy – Office of Science
Office of Science | | Posted Date: | Nov 02, 2020 | | Close Date: | Feb 08, 2021 | | Last Updated Date: | Nov 02, 2020 | | Award Ceiling: | $5,000,000 | | Award Floor: | $2,000,000 | | Estimated Total Program Funding: | $32,000,000 | | Expected Number of Awards: | | | Description: | The DOE SC program in Basic Energy Sciences (BES) hereby announces its interest in receiving new and renewal applications from small groups (2-3 principal investigators) 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 allow full use of emerging exascale and future planned DOE leadership-class computing capabilities. The focus for CCS is on developing capabilities that allow modeling and simulation of new or previously inaccessible complex chemical systems and/or provide dramatic improvement 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 reaction chemistry across multiple scales in complex environments important in geosciences, catalysis, biochemistry, or electrochemistry.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 funding opportunity continues the BES commitment to ECI by developing open-source codes that can take full advantage of emerging exascale and future planned DOE leadership-class computing facilities. | | Version: | 3 |
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