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諸熊チームが
シンポジウムを開催いたします。
複雑分子系の理論とシミュレーションに関するCREST国際シンポジウム（英語）
[開催日] 【平成21年7月19日(日)～21日(火)】
[場 所] 京都大学（京都市左京区） 福井謙一記念研究センター
[参加費］ 無料
[Invited Speakers］
【Nano Session】
・Kim Boltan (University of Boras, Sweden), "Computational studies of single-walled carbon nanotube growth"
・Stephan Irle (Nagoya University, Japan), "Density-functional tight-binding molecular dynamics simulations of carbon nanotube formation"
・Younghee Lee (Sungkyunkwan University, Korea), "Engineering electronic structures of carbon nanotubes: Theory and experiment"
・Shigeo Maruyama (The University of Tokyo, Japan), TBA
・Shigeru Nagase (Institute for Molecular Science, Japan), "Structures and reactions of endohedral metallofullerenes"
・Atsushi Oshiyama (Tokyo Institute of Technology, Japan), "Nanometer-scale shapes that produce unusual properties of carbon nanomaterials"
・Susumu Saito (University of Tsukuba, Japan), "Abundance of C60 revisited: A microscopic formation process of fullerenes"
・Gustavo E. Scuseria (Rice University, USA), "Carbon nanotubes and grapheme nanoribbons"
・Henryk Witek (National Chiao Tung University, Taiwan) "When finite becomes infinite..."
・Boris I. Yakobson, (Rice University, USA), TBA
【Bio Session】
・Lung Wa Chung (Kyoto University, Japan), "Our ONIOM journey of metalloenzymes and photobiology"
・Qiang Cui (University of Wisconsin, Madison), "Multi-scale models of biomolecular processes: developments and applications"
・Richard A. Friesner (Columbia University, USA) ,"Density functional based QM/MM studies of metalloprotein active sites"
・Junya Hasegawa (Kyoto University, Japan), "Excited states of photofunctional molecules in protein environments"
・Shigehiko Hayashi (Kyoto University, Japan), "Molecular mechanisms of enzymatic activities in motor and photoreceptor proteins"
・Todd Martinez (University of Illinois, USA), "Photobiology and mechanochemistry from first principles"
・Ulf Ryde (Lund University, Sweden), "A comparison of different methods to calculate reaction energies in proteins"
・Shigenori Tanaka (Kobe University, Japan), "Large-scale biomolecular simulations based on the fragment molecular orbital method"
・Walter Thiel (MPI Muhlheim, Germany), "QM/MM studies of enzymatic reactions"
・Weitao Yang (Duke University, USA), "Free energies and mechanism of chemical reactions in solution and in enzymes with ab initio QM/MM method"
・Kazunari Yoshizawa (Kyushu University, Japan), "QM/MM study on oxygenation enzymes"
【Transition Metal Systems Session】
・Christophe Bichara (CRMCN-CNRS and Aix-Marseille Universities, France), "Modeling Nickel-Carbon alloys to study the catalytic synthesis of Carbon Nanotubes"
・Chantal Daniel (Laboratoire de Chimie Quantique de Strasbourg, France), " From small to large transition metal complexes: quantum theory of electronic excited states"
・Feliu Maseras (Institut Català d'Investigació Química, Spain), "Cross-coupling reactions: calculations do help mechanistic understanding"
【Session of computational chemistry in industry】
・Shinichiro Nakamura (Mitsubishi Chemical Coorp., Japan), “Theoretical Chemistry in Chemical industrial researches”
[お問い合わせ］京都大学福井謙一記念研究センター
諸熊 奎治
Tel：075-711-7843
e-mail: morokumasymp@fukui.kyoto-u.ac.jp
ホームページ
http://kmweb.fukui.kyoto-u.ac.jp/symposia09/
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