AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive Sampling in Molecular Simulations

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Authors: Adrià Pérez, Pablo Herrera-Nieto, Stefan Doerr, Gianni De Fabritiis

Journal title: Journal of Chemical Theory and Computation

Journal number: 16/7

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 4685-4693

DOI identifier: 10.1021/acs.jctc.0c00205#

ISSN: 1549-9618