Coarse graining molecular dynamics with graph neural networks

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Authors: Brooke E. Husic, Nicholas E. Charron, Dominik Lemm, Jiang Wang, Adrià Pérez, Maciej Majewski, Andreas Krämer, Yaoyi Chen, Simon Olsson, Gianni de Fabritiis, Frank Noé, Cecilia Clementi

Journal title: The Journal of Chemical Physics

Journal number: 153/19

Journal publisher: American Institute of Physics

Published year: 2020

Published pages: 194101

DOI identifier: 10.1063/5.0026133

ISSN: 0021-9606