Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units

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Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units

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dc.contributor.author Watson, Mark A.
dc.contributor.author Olivares-Amaya, Roberto
dc.contributor.author Edgar, Richard G.
dc.contributor.author Arias, Tomás
dc.contributor.author Aspuru-Guzik, Alán
dc.date.accessioned 2012-04-06T19:22:05Z
dc.date.issued 2010
dc.identifier.citation Watson, Mark A., Roberto Olivares-Amaya, Richard G. Edgar, Tomás Arias, and Alán Aspuru-Guzik. 2010. Accelerating correlated quantum chemistry calculations using graphical processing units. Computing in Science and Engineering 12(4): 40-51. en_US
dc.identifier.issn 1521-9615 en_US
dc.identifier.uri http://nrs.harvard.edu/urn-3:HUL.InstRepos:8519264
dc.description.abstract Graphical processing units are now being used with dramatic effect to accelerate quantum chemistry calculations. However, early work exposed challenges involving memory bottlenecks and insufficient numerical precision. This research effort addresses those issues, proposing two new tools for accelerating matrix multiplications of arbitrary size where single-precision accuracy is not enough. en_US
dc.description.sponsorship Chemistry and Chemical Biology en_US
dc.language.iso en_US en_US
dc.publisher Institute of Electrical and Electronics Engineers en_US
dc.relation.isversionof doi:10.1109/MCSE.2010.29 en_US
dash.license OAP
dc.subject chemistry en_US
dc.subject graphical processing units en_US
dc.subject quantum calculations en_US
dc.title Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units en_US
dc.type Journal Article en_US
dc.description.version Author's Original en_US
dc.relation.journal Computing in Science and Engineering en_US
dash.depositing.author Aspuru-Guzik, Alán
dc.date.available 2012-04-06T19:22:05Z

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  • FAS Scholarly Articles [7220]
    Peer reviewed scholarly articles from the Faculty of Arts and Sciences of Harvard University

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