Parallel Implementation of Density Functional Theory...

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Journal of Chemical Theory and Computation 2020 / 06

Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program

Manathunga, Madushanka, Miao, Yipu, Mu, Dawei, Götz, Andreas W., Merz, Kenneth M.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00290
Date:
June, 2020
File:
PDF, 1.72 MB
2020
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