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Improvement of parallelization performance of GAMESS: Global sum and (semi-)direct integral calculation in multireference perturbation calculation.

Hiroaki UmedaShiro KosekiUmpei Nagashima
Published in: J. Comput. Chem. (2004)
Keyphrases
  • calculation method
  • artificial neural networks
  • knowledge base
  • three dimensional
  • multi agent systems
  • computational complexity
  • significant improvement
  • fine grained
  • parallel processing