This Project Grant award from the National Science Foundation (NSF) Computer and Information Science and Engineering (CISE) Federal Grant Program (CFDA 47.070) provides $784,535 to a collaborative research project led by Georgia Tech Research Corporation, in partnership with the University of Georgia, Virginia Tech, and the University of Memphis. The project aims to develop a software framework to make it easier to implement advanced quantum chemistry methods on emerging hardware. The team will create libraries to efficiently handle the complex matrices and tensors in quantum chemistry equations, and to enable programmers to implement these methods more easily. They will also develop a library to compute key electron repulsion integrals on graphics processing units. These tools will be thoroughly tested by implementing several advanced theoretical methods, including coupled-cluster, relativistic, and real-time electron dynamics techniques. The project period runs from September 15, 2024 to August 31, 2028.
Mod # | Description | Reason For Modification | Federal Obligation (Click to sort descending) | Date (Click to sort ascending) |
|---|---|---|---|---|
| Not listed | $392.3k | 7/8/25 | ||
| Not listed | $196.1k | 6/23/25 | ||
| Not listed | $196.1k | 9/10/24 |