Project Grant 2410878

Award Date 9/15/24
Completion Date 8/31/28
Dollars Obligated $209K
Federal Grant Program
47.070
Assistance Type
Project Grant
Place of Performance
Memphis, TN 38152, USA
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This Project Grant award from the National Science Foundation (CFDA 47.070 - Computer and Information Science and Engineering) will provide $208,751 to the University of Memphis to develop a software framework that makes it easier to implement advanced quantum chemistry methods on emerging hardware. The project involves a collaborative team of experts in quantum chemistry and computer science from Georgia Tech, the University of Georgia, Virginia Tech, and the University of Memphis.

The key products to be delivered include:

  1. A library to efficiently handle the matrices and tensors that appear in quantum chemistry equations, and to make it easier for programmers to implement quantum chemistry methods.
  2. A library to compute the electron repulsion integrals central to quantum chemistry 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 methods. This award aims to advance computational quantum chemistry capabilities and provide researchers with improved simulation techniques. The project period runs from Sep 15, 2024 to Aug 31, 2028.

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