chemtrain: Learning deep potential models via automatic differentiation and statistical physics

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Authors: Paul Fuchs, Stephan Thaler, Sebastien Röcken, Julija Zavadlav

Journal title: Computer Physics Communications

Journal number: 310

Journal publisher: Elsevier BV

Published year: 2025

DOI identifier: 10.1016/J.CPC.2025.109512

ISSN: 0010-4655