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Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks

Ellis, J. A.; Cangi, A.; Modine, N. A.; Stephens, J. A.; Thompson, A. P.; Rajamanickam, S.

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Publication date:
December 11, 2020
DOI:
10.14278/rodare.646

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10.14278/rodare.646

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Keyword(s):
machine learning neural networks materials science density functional theory
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-31857
Referenced by:
https://www.hzdr.de/publications/Publ-31603
Supplement to:
https://arxiv.org/abs/2010.04905
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