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GPU accelerated implementation of NCI calculations using promolecular density.

Gaëtan RubezJean-Matthieu EtancelinXavier VigourouxMichaël KrajeckiJean-Charles BoissonEric Henon
Published in: J. Comput. Chem. (2017)
Keyphrases
  • gpu accelerated
  • finite element
  • data sets
  • least squares
  • computer aided
  • density function