Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states

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Authors: Z Belkacemi, M Bianciotto, H Minoux, T Lelièvre, G Stoltz, P Gkeka

Journal title: The Journal of Chemical Physics 159 (2) 4

Journal publisher: AIP Publishing

Published year: 2023

DOI identifier: 10.1063/5.0151053

ISSN: 1089-7690