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MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.

Thomas WeymuthMoritz P. HaagKarin KiewischSandra LuberStephan SchenkChristoph R. JacobCarmen HerrmannJohannes NeugebauerMarkus Reiher
Published in: J. Comput. Chem. (2012)
Keyphrases
  • massively parallel
  • parallel computing
  • fine grained
  • high performance computing
  • pairwise
  • x ray
  • infrared
  • processing elements
  • parallel execution
  • message passing interface
  • mesh connected