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Research Directors/Research Themes


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

Theoretical Studies of the Charge Transfer Mechanisms in Biological Systems with QM (MRSCI+DFT)/MM methods

Toshikazu TAKADA

Toshikakzu TAKADA

Research Fellow,Fundamental and Environmental Research Laboratories,NEC Corporation

Main Research Collaborator list

Haruki NAKAMURA

Professor,Institute for Protein Research,Osaka University


Kizashi YAMAGUCHI

Professor,Graduate School of Science,Osaka University

Outline of Research Themes

To learn a way of producing materials in industry efficiently and safely from biological systems is considered helpful to solve the issue of the energy and environment crisis. In this project, a code for bio molecular simulations is newly developed for understanding the mechanisms of efficient charge transfers in the biological systems. As an application of it, the electron transfer in the photosynthetic reaction center will be studied for use of the solar energy in the future.

QM and MM Regions of Photosynthetic Reaction Center

QM and MM Regions of Photosynthetic Reaction Center

Molecular Structures of Proteins and Chromophores in Photosynthetic Reaction Center and Calculated Electron Density of Chlorophyll Dimer

Molecular Structures of Proteins and Chromophores in Photosynthetic Reaction Center and Calculated Electron Density of Chlorophyll Dimer

 

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