The Journal of Computer Chemistry, Japan, Vol. 1, No. 3 (2002)

General Papers

• Two Algorithms Designed for Realizing Efficient Combination of Fast Multipole Method and Dedicated Hardware for Molecular Dynamics Simulations

  Takashi AMISAKI, Shinjiro TOYODA, Hiroh MIYAGAWA and Kunihiro KITAMURA

• Molecular Dynamics Study on the Density Fluctuation of Supercritical Water

  Kazuyoshi UEDA, Taro KOMAI, Isseki YU and Haruo NAKAYAMA

• Phase Transition of Minute Argon Microcluster in Molecular Dynamics Simulations

  Yosuke UEDA, Yuri YAMADA and Yosuke KATAOKA

• Theoretical Study for the Site Exchange Mechanism of Anionic 5-Coordinate Pt(II) Complexes with Halide, [PtX(hfac)₂]^- (X = Cl, Br, I, hfac = hexafluoroacetylacetonate)

  Seichi OKEYA, Kan WAKAMATSU, Takashi SHIBAHARA, Hideo YAMAKADO and Kichisuke NISHIMOTO

• Summy (Solutions Utilities for Material Mining by Yourself):
  A Bench Side Computing Environment for Material Design (1)
  - Overview and Design Concept -

  Sumie TAJIMA, Umpei NAGASHIMA and Haruo HOSOYA

• Development of an Atomistic Brownian Dynamics Algorithm with Implicit Solvent Model for Long Time Simulation

  Tadashi ANDO, Toshiyuki MEGURO and Ichiro YAMATO