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Fast multipole method for three-dimensional systems with periodic boundary condition in two directions

Noriyuki Yoshii1,2, Yoshimichi Andoh1, Susumu Okazaki1,2

  • 1Center for Computational Science, Graduate School of Engineering, Nagoya University, Nagoya, 464-8603, Japan.

Journal of Computational Chemistry
|January 14, 2020
PubMed

Keywords:
electrostatic interactionfast multipole methodmolecular dynamicsperiodic boundary conditionsimulationslab geometry

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