Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT

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Yutaka Maruyama1, Norio Yoshida, Hiroto Tadano

  • 1Department of Physics, Faculty of Science and Technology, Keio University, Yokohama, Kanagawa, 223-8522, Japan.

Journal of Computational Chemistry
|April 29, 2014
PubMed

Keywords:
3D-FFT3D-RISM theorymassively parallel machine

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