Robustness of Local Predictions in Atomistic Machine Learning Models

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Authors: Sanggyu Chong, Federico Grasselli, Chiheb Ben Mahmoud, Joe D. Morrow, Volker L. Deringer, Michele Ceriotti

Journal title: Journal of Chemical Theory and Computation

Journal number: 19

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 8020-8031

DOI identifier: 10.1021/acs.jctc.3c00704

ISSN: 1549-9618