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A massively multicore parallelization of the Kohn-Sham energy gradients. (2010)

First Author: Brown P

Attributed to: Accelerating rational drug design with multi-threaded array processors funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1002/jcc.21485

PubMed Identifier: 20127716

Publication URI: http://europepmc.org/abstract/MED/20127716

Type: Journal Article/Review

Volume: 31

Parent Publication: Journal of computational chemistry

Issue: 10

ISSN: 0192-8651