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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.
BibTeX Export
@misc{ellis_j_a_2020_646,
author = {Ellis, J. A. and
Cangi, A. and
Modine, N. A. and
Stephens, J. A. and
Thompson, A. P. and
Rajamanickam, S.},
title = {{Accelerating Finite-temperature Kohn-Sham Density
Functional Theory with Deep Neural Networks}},
month = dec,
year = 2020,
note = {{This is only a limited set of the entire output
data. The remainder of the data will be made
available at a later point once approval from the
collaborating research institution (Sandia
National Laboratories) has been granted. The
source code of the associated machine learning
framework will also be published at that stage.}},
doi = {10.14278/rodare.646},
url = {https://doi.org/10.14278/rodare.646}
}
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- Publication date:
- December 11, 2020
- DOI:
-
- 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 - Communities: