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Implementation strategies in phonopy and phono3py
Implementation strategies in phonopy and phono3py
May 23, 2023
1 min read
outgoing-citations
Authors
Atsushi Togo
Laurent Chaput
Terumasa Tadano
Isao Tanaka
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Isao Tanaka
Laurent Chaput
Atsushi Togo
Terumasa Tadano
Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning