Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations-Reference-Cited by-同舟云学术

Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations

Published:2013-01-04 Issue:2 Volume:9 Page:965-976
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Miao Yipu¹,Merz Kenneth M.¹

Affiliation:

1. Department of Chemistry and Quantum Theory Project, 2328 New Physics Building, P. O. Box 118435, University of Florida, Gainesville, Florida 32611-8435, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300754n

Reference29 articles.

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2. Götz, A. W.; Wölfle, T.; Walker, R. C.InAnnual Reports in Computational Chemistry;Wheeler, R. A., Ed.Elsevier:Amsterdam, 2010; Vol.6, pp21–35.

3. The Amber biomolecular simulation programs

4. General purpose molecular dynamics simulations fully implemented on graphics processing units

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