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

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

Journal title: The Journal of Chemical Physics

Journal number: 159

Journal publisher: AIP Publishing

Published year: 2023

Published pages: 024122

DOI identifier: 10.48550/arxiv.2306.02935

ISSN: 1089-7690