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First principles Phonon Calculations with Phonopy and Phono3py
First-principles Phonon Calculations with Phonopy and Phono3py
Dec 06, 2022
1 min read
outgoing-citations
Authors
Atsushi Togo
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Atsushi Togo
Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning