Watson, Mark A.Olivares-Amaya, RobertoEdgar, Richard G.Arias, TomásAspuru-Guzik, Alan2012-04-062010Watson, 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): 40-51.1521-9615http://nrs.harvard.edu/urn-3:HUL.InstRepos:8519264Graphical 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-USchemistrygraphical processing unitsquantum calculationsJournal Article2012-04-0610.1109/MCSE.2010.29