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Adopted FY2005 Shuji OGATA Atushi OSHIYAMA Masaki SATOH Toshikazu TAKADA Keiko TAKAHASHI Seiichiro TEN-NO Kimihiko HIRAO Mitsuhiro MATSU'URA Adopted FY2006 Masataka NAGAOKA Hiroyasu HASUMI Masahiko MACHIDA Masuhiro MIKAMI Keiji MOROKUMA Yasuhiro YAMANAKA Ryoichi YAMAMOTO Adopted FY2007 Yuriko AOKI Masatoshi IMADA Hideyuki USUI Akio KITAO Hiroshi NAKATSUJI Shinobu YOSHIMURA |
Research Directors / Research Themes Simulation of Complexes Molecular Systems Utilizing Hybrid Molecular Theories
The goals of the present research are to develop further hybrid molecular theories such as ONIOM and RISM-SCF already invented by the principle and co-principle investigators, to demonstrate the feasibility of applying such hybrid methods to simulation of structure, reactions and dynamics of complex molecular systems such as nano, biomolecular and solution phase systems, and to actually solve by simulation some of the important existing problems in these fields.
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