Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks.

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Authors: Nicodemo Di Pasquale; Joshua D. Elliott; Panagiotis E. Hadjidoukas; Paola Carbone

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2021

DOI identifier: 10.1021/acs.jctc.1c00360

ISSN: 1549-9618