nap: A molecular dynamics package with parameter-optimization programs for classical and machine-learning potentials

M4 Python Fortran Submitted 01 September 2020Published 20 January 2021
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Editor: @usethedata (all papers)
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Authors

Ryo Kobayashi (0000-0001-8244-5844)

Citation

Kobayashi, R., (2021). nap: A molecular dynamics package with parameter-optimization programs for classical and machine-learning potentials. Journal of Open Source Software, 6(57), 2768, https://doi.org/10.21105/joss.02768

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materials science molecular dynamics interatomic potential neural-network potential meta-heuristics

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ISSN 2475-9066