Multicore Parallelization of Kohn-Sham Theory. (2009)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/ct900138j
PubMed Identifier: 26610003
Publication URI: http://europepmc.org/abstract/MED/26610003
Type: Journal Article/Review
Volume: 5
Parent Publication: Journal of chemical theory and computation
Issue: 7
ISSN: 1549-9618