Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions
Author:
Affiliation:
1. Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland
Funder
National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0070488
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