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Preconditioners for the geometry optimisation and saddle point search of molecular systems. (2018)

First Author: Mones L

Attributed to: Preconditioners for Large-Scale Atomistic Simulations funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1038/s41598-018-32105-x

PubMed Identifier: 30228316

Publication URI: http://europepmc.org/abstract/MED/30228316

Type: Journal Article/Review

Volume: 8

Parent Publication: Scientific reports

Issue: 1

ISSN: 2045-2322