Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units
MetadataShow full item record
CitationWatson, 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.
AbstractGraphical 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.
Citable link to this pagehttp://nrs.harvard.edu/urn-3:HUL.InstRepos:8519264
- FAS Scholarly Articles