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Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units

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4 Author(s)

Graphical processing units are now being used with dramatic effect to accelerate quantum chemistry applications. The authors give a brief introduction to electronic structure methods and describe their efforts to accelerate a correlated quantum chemistry code. They propose and analyze two new tools for accelerating matrix-multiplications where single-precision accuracy is insuffcient.

Published in:

Computing in Science & Engineering  (Volume:12 ,  Issue: 4 )