アジア国際シンポジウム

アジア国際シンポジウム―物理化学ディビジョン／理論化学・情報化学・計算化学ディビジョン／分子科学会共催―

2018年3月22日(木) 09:00 〜 12:00 E1 (10号館 1011)

3E1-02～3E1-08 松林伸幸
3E1-11～3E1-17 立川仁典

午前

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09:00 〜 09:10

[3E1-01] Opening Remarks

23.趣旨説明

○松本吉泰 (京都大学)

09:10 〜 09:50

[3E1-02] Modeling ligand-protein binding kinetics using molecular simulations and a novel pathway search method

21.Keynote Lecture

○Chang, A. Chia-en (University of California, Riverside)

09:50 〜 10:10

[3E1-06] Molecular dynamics study of structures and vibrational spectra at aqueous solution/zwitterionic lipid interfaces

20.Invited Lecture

○石山達也 (富山大学)

10:10 〜 10:30

[3E1-08] Quantum chemical effects on solvation incorporated by size-consistent multipartitioning quantum mechanics/molecular mechanics method

20.Invited Lecture

○渡邉宙志 (東京大学 )

10:40 〜 11:20

[3E1-11] Efficient Exploration of High Dimensional Free Energy Landscapes of Chemical Transformations

21.Keynote Lecture

○Nisanth N., Nair (Indian Institute of Technology Kanpur)

11:20 〜 11:40

[3E1-15] Development of QM/MM-based methods to investigate electron transfer reactions in condensed phases

20.Invited Lecture

○中農浩史 (京都大学)

11:40 〜 12:00

[3E1-17] Predicting the structure of self-assembled supramolecular nanosystems via all-atom molecular simulation

20.Invited Lecture

○山本武志 (京都大学)

セッション情報

アジア国際シンポジウム―物理化学ディビジョン／理論化学・情報化学・計算化学ディビジョン／分子科学会共催―

[3E1-01] Opening Remarks

23.趣旨説明

[3E1-02] Modeling ligand-protein binding kinetics using molecular simulations and a novel pathway search method

21.Keynote Lecture

[3E1-06] Molecular dynamics study of structures and vibrational spectra at aqueous solution/zwitterionic lipid interfaces

20.Invited Lecture

[3E1-08] Quantum chemical effects on solvation incorporated by size-consistent multipartitioning quantum mechanics/molecular mechanics method

20.Invited Lecture

[3E1-11] Efficient Exploration of High Dimensional Free Energy Landscapes of Chemical Transformations

21.Keynote Lecture

[3E1-15] Development of QM/MM-based methods to investigate electron transfer reactions in condensed phases

20.Invited Lecture

[3E1-17] Predicting the structure of self-assembled supramolecular nanosystems via all-atom molecular simulation

20.Invited Lecture