Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units
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. © 2010, IEEE. All rights reserved.
Date Published
Journal
Computing in Science and Engineering
Volume
12
Issue
4
Number of Pages
40-51,
URL
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85008053893&doi=10.1109%2fMCSE.2010.29&partnerID=40&md5=85914cf3c10cfcffc023b5f5d5edcc61
DOI
10.1109/MCSE.2010.29
Research Area
Group (Lab)
Tomas Arias Group