Accelerating Resolution-of-the-Identity Second-Order Møller−Plesset Quantum Chemistry Calculations with Graphical Processing Units-Reference-Cited by-同舟云学术

Accelerating Resolution-of-the-Identity Second-Order Møller−Plesset Quantum Chemistry Calculations with Graphical Processing Units

Published:2008-01-30 Issue:10 Volume:112 Page:2049-2057
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Vogt Leslie¹,Olivares-Amaya Roberto¹,Kermes Sean¹,Shao Yihan¹,Amador-Bedolla Carlos¹,Aspuru-Guzik Alán¹

Affiliation:

1. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, Department of Computer Science, Rensselaer Polytechnic Institute, Troy, New York 12180, Q-Chem, Inc., 5001 Baum Blvd., Suite 690, Pittsburgh, Pennsylvania 15213, and Departamento de Química Teórica, Facultad de Química, Universidad Nacional Autónoma de México, México D. F. 04510

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0776762

Reference21 articles.

1. Quantum Monte Carlo on graphical processing units

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