Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water

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Authors: Edward Danquah Donkor, Alessandro Laio, Ali Hassanali

Journal title: Journal of Chemical Theory and Computation

Journal number: 19

Journal publisher: American Chemical Society (ACS)

Published year: 2023

DOI identifier: 10.1021/ACS.JCTC.2C01205

ISSN: 1549-9618