Inclusion of More Physics Leads to Less Data: Learning the Interaction Energy as a Function of Electron Deformation Density with Limited Training Data
Author:
Affiliation:
1. Monash Computational Chemistry Group, School of Chemistry, Monash University, Clayton, Victoria 3800, Australia
2. Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory 0200, Australia
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01264
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