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Random Structure Searching with Orbital-Free Density Functional Theory. (2021)

First Author: Witt WC

Attributed to: Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.0c11030

PubMed Identifier: 33586978

Publication URI: http://europepmc.org/abstract/MED/33586978

Type: Journal Article/Review

Volume: 125

Parent Publication: The journal of physical chemistry. A

Issue: 7

ISSN: 1089-5639