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Project

Concept
Computational Science
Researches
Nonequilibrium Systems
Chemical Reactions
Macroscopic Chemical Phenomena
Life Phenomena
Multiscale Information Processing
Industry Applications
Meetings & Seminars
Meetings
- FY 2022
- FY 2021
- FY 2020
- FY 2019
- FY 2018
- FY 2017
- FY 2016
- FY 2015
- FY 2014
- FY 2013
- FY 2012
- FY 2011
- FY 2010
- FY 2009
- FY 2008
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- FY 2006
- FY 2005
- FY 2004
- FY 2003
- FY 2000
Open Seminars
- FY 2019
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- FY 2017
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- FY 2012
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References
Materials
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Computers

Meetings

+FY 2008

2009.03.25-27　ANSCSE13 (Annual Symposium on Computational Science and Engineering) [Bangkok, Thailand]: 招待講演 Toward Absolute Reaction Rate Theory In Solution Via Free Energy Gradient Method With Extensive Molecular Dynamics Simulations
2008.12.22-25　第２回分子シミュレーションスクール－基礎から応用まで－ [岡崎コンファレンスセンター]: 招待講演化学反応と分子シミュレーション
2008.11.17-19　第２２回分子シミュレーション討論会 [岡山大学創立五十周年記念館]: 依頼講演凝集系化学反応とポテンシャル関数
138P 水溶液中アンモニアの微視的反応機構に関する理論的研究
2008.09.24-27　第2回分子科学討論会 [福岡国際会議場]: 4E10 QM/MM-MD計算の結果に基づいた、溶質分子の電荷分布の評価法とそのダイナミクス
2P106 ＣＯリガンド光解離後に生じるヘモグロビンサブユニット構造変形の理論的解析
2P123 アンモニアイオン化反応の水和構造変化に関する理論的研究
2008.09.14-19　World Association of Theoretical and Computational Chemists 2008 (WATOC 2008) [Sydney, Australia]: PA72 Absolute Reaction Rates in Solution via Free Energy Gradient Method with Molecular Dynamics Simulations
PP263 Adsorption State and Behavior of Small Molecules in Nanochanneled Metal-Organic Frameworks: An Electronic State Calculation
PP264 Microscopic Hydration Mechanism in the Ammonia Dissolution Process: Importance of the Solute QM Polarization
PP347 On the Intermolecular Energy Transfer around Vibrationally Excited Hydrogen Fluoride in Aqueous Solution: A Molecular Dynamics Simulation Study

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