Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks
Author:
Affiliation:
1. Department of Chemical Engineering and Analytical Science, University of Manchester, Manchester M13 9AL, United Kingdom
2. IBM Research, Zürich, 8803 Rüschlikon, Switzerland
Funder
H2020 Industrial Leadership
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00360
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