Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 12, Issue 26, Pages 6896-6920Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c002859b
Keywords
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Funding
- Department of Energy's Office of Biological and Environmental Research [DE-AC05-76RL01830]
- Swedish Research Council
- Lund University, Sweden
- Sandia National Laboratories
- Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy [DE-AC04-94-AL85000]
- Extreme Scale Computing Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory
- DOE ASCR
- John-von-Neumann Institute
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Parallel hardware has become readily available to the computational chemistry research community. This perspective will review the current state of parallel computational chemistry software utilizing high-performance parallel computing platforms. Hardware and software trends and their effect on quantum chemistry methodologies, algorithms, and software development will also be discussed.
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