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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

\texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
descriptionPublicationkeyboard_double_arrow_right Article 01 Sep 2010 English Publisher:Elsevier BVJournal:Computer Physics Communications, volume 181, pages 1,477-1,489 (issn: 0010-4655, Copyright policy )
Authors: Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; +4 Authors

doi: 10.1016/j.cpc.2010.04.018

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Abstract

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Classification and discrimination; cluster analysis (statistical aspects), Pattern recognition, speech recognition, plane wave methods, Computational methods for problems pertaining to quantum theory, DFT, Simulation and numerical modelling (quantum field theory), QMMM, \texttt{NWChem}, Research exposition (monographs, survey articles) pertaining to quantum theory, coupled cluster, Molecular physics

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
views
OpenAIRE UsageCountsViews provided by UsageCounts
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