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Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes. (2024)

First Author: Butler PWV

Attributed to: Digital navigation of chemical space for function funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.3c07129

PubMed Identifier: 38277275

Publication URI: http://europepmc.org/abstract/MED/38277275

Type: Journal Article/Review

Volume: 128

Parent Publication: The journal of physical chemistry. A

Issue: 5

ISSN: 1089-5639