Computing surface reaction rates by Adaptive Multilevel Splitting combined with Machine Learning and Ab Initio Molecular Dynamics

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Authors: A. Anciaux-Sekadrian, M. Corral-Valero,T. Lelièvre, M. Moreaud, T. Pigeon, P. Raybaud, G. Stoltz

Journal title: Journal of Chemical Theory and Computation

Journal number: 19(12)

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 3538–3550

DOI identifier: 10.1021/acs.jctc.3c00280

ISSN: 1549-9618