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Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures. (2024)

First Author: Antypov D

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/10.1002/cphc.202400254

PubMed Identifier: 38567647

Publication URI: http://europepmc.org/abstract/MED/38567647

Type: Journal Article/Review

Volume: 25

Parent Publication: Chemphyschem : a European journal of chemical physics and physical chemistry

Issue: 12

ISSN: 1439-4235