SingleNN: Modified Behler–Parrinello Neural Network with Shared Weights for Atomistic Simulations with Transferability
Author:
Affiliation:
1. Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c04225
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