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 [5137]
Peer reviewed scholarly articles from the Faculty of Arts and Sciences of Harvard University
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