Faculty Profiles - Shinoda Wataru

MISC - Shinoda Wataru

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温度と応力を制御した分子動力学法による粒界すべりの研究

志賀基之, 篠田渉

分子シミュレーション討論会講演要旨集 18th 2004

Rigid-body dynamics in the isothermal-isobaric ensemble: A test on the accuracy and computational efficiency

W Shinoda, M Mikami

JOURNAL OF COMPUTATIONAL CHEMISTRY 24 ( 8 ) 920 - 930 2003.6

分子動力学法による温度とストレスの制御とその応用

志賀基之, 篠田渉, 三上益弘, 蕪木英雄

分子構造総合討論会講演要旨集(CD-ROM) 2003 2003

Development of General Purpose Molecular Dynamics Simulation System TACPACK 2000 III - Systematization technologies -

Minami Kazuyoshi, Morikawa Yoshitada, Ogawa Hiroshi, Tanaka Shingo, Terakura Kiyoyuki, Masuda Hirotoshi, Mitsui Takashi, Sasaki Mikio, Mikami Masuhiro, Shinoda Wataru, Liew Chie Chin, Kawata Masaaki, Ikeshoji Tamio

Symposium on Chemical Information and Computer Sciences 0 ( 0 ) J25 - J25 2001

Publisher：公益社団法人日本化学会・情報化学部会

The TACPACK2000 system consists of general purpose molecular dynamics simulators for large scale system of complicated materials such as biopolymer, organic crystal, liquid crystal, polymers, semiconductor, metal and alloy and ceramics and integration system for the simulators. In this presentation, the systematization technologies of the integration system are described. In the database management technology, we have developed the new technology using XML(eXtensible Markup Language) to control uniformly the data composed of molecular structure, crystal structure , potential and pseudopotential function etc. Also in the plug-in function, we have developed the software technologies for program restoration / deletion function to this system, compilation linkage functions of the program and automatic generation function of parameters input screen.

DOI： 10.11547/ciqs2001.tokusi.0.J25.0

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分子動力学シミュレーションによる脂質二重層膜の構造と動力学

篠田渉, 岡崎進

電気化学および工業物理化学 : denki kagaku 68 ( 2 ) 129 - 133 2000.2

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