Hamiltonian-reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

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Authors: Raimon Fabregat, Alberto Fabrizio, Benjamin Meyer, Daniel Hollas, Clémence Corminboeuf

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2020

DOI identifier: 10.1021/acs.jctc.0c00100

ISSN: 1549-9618