Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
Author:
Affiliation:
1. Department of Chemistry and Center for Integrated Protein Science (CIPSM), University of Munich (LMU), D-81377 München, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct501189u
Reference22 articles.
1. Two-electron integral evaluation on the graphics processor unit
2. Accelerating Density Functional Calculations with Graphics Processing Unit
3. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
4. Graphical Processing Units for Quantum Chemistry
5. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
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