Spatially Resolved Uncertainties for Machine Learning Potentials
Author:
Affiliation:
1. Institute of Materials Chemistry, TU Wien, A-1060 Vienna, Austria
Funder
Austrian Science Fund
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00904
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5. E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
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