Challenges for Machine Learning Force Fields in Reproducing Potential Energy Surfaces of Flexible Molecules

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Authors: Valentin Vassilev-Galindo, Gregory Fonseca, Igor Poltavsky, Alexandre Tkatchenko

Journal title: J. Chem. Phys.

Journal number: 00219606

Journal publisher: American Institute of Physics

Published year: 2021

DOI identifier: 10.1063/5.0038516

ISSN: 0021-9606