Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces. (2017)

First Author: Von Rudorff GF
Attributed to:  MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b01121

PubMed Identifier: 28350956

Publication URI: http://europepmc.org/abstract/MED/28350956

Type: Journal Article/Review

Volume: 13

Parent Publication: Journal of chemical theory and computation

Issue: 5

ISSN: 1549-9618