Updated on 2023/07/19

写真a

 
IUCHI Satoru
 
Organization
Graduate School of Informatics Department of Complex Systems Science 3 Assistant Professor
Graduate School
Graduate School of Informatics
Undergraduate School
School of Informatics Department of Natural Informatics
Title
Assistant Professor

Degree 1

  1. 博士(理学) ( 2005.3   京都大学 ) 

Current Research Project and SDGs 1

  1. Theoretical study on excited state dynamics

Research History 5

  1. Assistant Professor, Graduate School of Information Science, Nagoya University

    2010.4

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    Country:Japan

  2. Program-Specific Assistant Professor, Graduate School of Engineering, Kyoto University

    2009.4

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    Country:Japan

  3. Program-Specific Research Center Assistant Professor, iCeMS, Kyoto University

    2008.10

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    Country:Japan

  4. Program-Specific Researcher, Graduate School of Engineering, Kyoto University

    2008.8

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    Country:Japan

  5. Postdoctoral Researcher, University of Utah

    2005.6

Education 3

  1. Kyoto University   Graduate School of Science

    2001.4 - 2005.3

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    Country: Japan

  2. Kyoto University   Graduate School of Science

    1999.4 - 2001.3

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    Country: Japan

  3. Kyoto University   Faculty of Agriculture

    1995.4 - 1999.3

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    Country: Japan

Professional Memberships 3

  1. Japan Society for Molecular Science

  2. Chemical Society of Japan

  3. Japan Society of Theoretical Chemistry

 

Papers 25

  1. Theoretical and computational methodologies for understanding coordination self-assembly complexes Reviewed

    Satoshi Takahashi, Satoru Iuchi, Shuichi Hiraoka and Hirofumi Sato

    Physical Chemistry Chemical Physics   Vol. 25   page: 14659 - 14671   2023.6

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    Language:English  

    Article type: Perspective

    DOI: 10.1039/d3cp00082f

  2. Ultrafast Electronic Relaxation in Aqueous [Fe(bpy)3]2+: A Surface Hopping Study Reviewed

    Satoru Iuchi and Nobuaki Koga

    The Journal of Physical Chemistry Letters   Vol. 14 ( 18 ) page: 4225 - 4232   2023.5

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    Authorship:Lead author, Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1021/acs.jpclett.3c00686

  3. A model electronic Hamiltonian to describe low-lying d-d and metal-to-ligand charge-transfer excited states of [Fe(bpy)3]2+ Reviewed

    S. Iuchi and N. Koga

    J. Comput. Chem.   Vol. 42   page: 166-179   2021.1

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    Authorship:Lead author, Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

  4. A quantum chemical model for a series of self-assembled nanocages: the origin of stability behind the coordination-driven formation of transition metal complexes up to [M12L24]24+ Reviewed

    Y. Yoshida, S. Iuchi, and H. Sato

    Phys. Chem. Chem. Phys.   Vol. 23   page: 866-877   2021.1

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    Authorship:Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

  5. Conversion of flavonol glycoside to anthocyanin: an interpretation of the oxidation-reduction relationship of biosynthetic flavonoid-intermediates Reviewed

    K. Oyama, Y. Kimura, S. Iuchi, N. Koga, K. Yoshida, and T. Kondo

    RSC Adv.   Vol. 9   page: 31435-31439   2019

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    Language:English   Publishing type:Research paper (scientific journal)  

  6. Structure of two purple pigments, catechiopyranocyanidins A and B from the seed-coat of the small red bean, Vigna angularis Reviewed

    K. Yoshida, N. Nagai, Y. Ichikawa, M. Goto, K. Kazuma, K. Oyama, K. Koga, M. Hashimoto, S. Iuchi, Y. Takaya, T. Kondo

    Scientific Reports   Vol. 9   page: 1484   2019.2

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    Language:English   Publishing type:Research paper (scientific journal)  

  7. DFT/TD-DFT calculations of the electronic and optical properties of bis-N,N-dimethylaniline-based dyes for use in dye-sensitized solar cells Reviewed

    A. B. El-Meligy, N. Koga, S. Iuchi, K. Yoshida, K. Hirao, A. H. Mangood, and A. M. El-Nahas

    J. Photochem. Photobiol. A   Vol. 367   page: 332-346   2018.12

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    Language:English   Publishing type:Research paper (scientific journal)  

  8. Chiral effects on the final step of an octahedron-shaped coordination capsule self-assembly Reviewed

    Y. Matsumura, S. Iuchi, S. Hiraoka, and H. Sato

    Phys. Chem. Chem. Phys.   Vol. 20   page: 7383-7386   2018.3

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    Language:English   Publishing type:Research paper (scientific journal)  

  9. A model electronic Hamiltonian for the self-assembly of an octahedron-shaped coordination capsule Reviewed

    Y. Matsumura, S. Iuchi, and H. Sato

    Phys. Chem. Chem. Phys.   Vol. 20   page: 1164-1172   2018.1

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    Language:English   Publishing type:Research paper (scientific journal)  

  10. Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions Reviewed

    A. Agena, S. Iuchi, and M. Higashi

    Chem. Phys. Lett.   Vol. 679   page: 60-65   2017.7

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    Language:English   Publishing type:Research paper (scientific journal)  

  11. Characterization of dye-sensitized solar cells using five pure anthocyanidin 3-O-glucosides possessing different chromophores Reviewed

    Yuki Kimura, Takeshi Maeda, Satoru Iuchi, Nobuaki Koga, Yasujiro Murata, Atsushi Wakamiya, Kumi Yoshida

    J. Photochem. Photobiol. A   Vol. 335   page: 230-238   2017.2

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    Language:English   Publishing type:Research paper (scientific journal)  

  12. A New Method To Evaluate Excited States Lifetimes Based on Green's Function: Application to Dye-Sensitized Solar Cells Reviewed

    D. Sulzer, S. Iuchi, and K. Yasuda

    J. Chem. Theory Comput.   Vol. 12   page: 3074-3086   2016.7

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    Language:English   Publishing type:Research paper (scientific journal)  

  13. Insight into the light-induced spin crossover of [Fe(bpy)3]2+ in aqueous solution from molecular dynamics simulation of d-d excited states Reviewed

    S. Iuchi and N. Koga

    Phys. Chem. Chem. Phys.   Vol. 18   page: 4789-4799   2016.2

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    Language:English   Publishing type:Research paper (scientific journal)  

  14. Improving DIIS convergence for metallic systems using Gaussian basis set Reviewed

    D. Sulzer, S. Iuchi, and K. Yasuda

    Chem. Phys. Lett.   Vol. 635   page: 201-204   2015.8

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    Language:English   Publishing type:Research paper (scientific journal)  

  15. An improved model electronic Hamiltonian for potential energy surfaces and spin-orbit couplings of low-lying d-d states of [Fe(bpy)3]2+ Reviewed

    S. Iuchi and N. Koga

    J. Chem. Phys.   Vol. 140   page: 024309(1-11)   2014.1

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    Language:English   Publishing type:Research paper (scientific journal)  

  16. Ultraviolet bonding of perfluoropolyethers to carbon surfaces investigated using quantum chemical methods Reviewed

    Md. K. Alam, H. Zhang, N. Koga, and S. Iuchi

    Microsystem Technologies   Vol. 19   page: 1383-1391   2013

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    Language:English   Publishing type:Research paper (scientific journal)  

  17. Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate Reviewed

    H. Ando, S. Iuchi, and H. Sato

    Chem. Phys. Lett.   Vol. 535   page: 177-181   2012.5

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    Language:English   Publishing type:Research paper (scientific journal)  

  18. A model electronic Hamiltonian to study low-lying electronic states of [Fe(bpy)3]2+ in aqueous solution Reviewed

    S. Iuchi

    J. Chem. Phys.   Vol. 136   page: 064519(1-10)   2012.2

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  19. Spin-orbit coupling in a model Hamiltonian for d-d excited states of Ni2+ ion aqueous solution Reviewed

    S. Iuchi and S. Sakaki

    Chem. Phys. Lett.   Vol. 485   page: 114-118   2010.1

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    Language:English   Publishing type:Research paper (scientific journal)  

  20. Hydrated Excess Proton at Water-Hydrophobic Interfaces Reviewed

    S. Iuchi, H. Chen, F. Paesani, and G. A. Voth

    J. Phys. Chem. B   Vol. 113   page: 4017-4030   2009.4

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    Language:English   Publishing type:Research paper (scientific journal)  

  21. Quantum effects in liquid water from an ab initio-based polarizable force field Reviewed

    F. Paesani, S. Iuchi, and G. A. Voth

    J. Chem. Phys.   Vol. 127   page: 074506(1-15)   2007.8

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    Language:English   Publishing type:Research paper (scientific journal)  

  22. Are many-body electronic polarization effects important in liquid water? Reviewed

    S. Iuchi, S. Izvekov, and G. A. Voth

    J. Chem. Phys.   Vol. 126   page: 124505(1-13)   2007.3

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    Language:English   Publishing type:Research paper (scientific journal)  

  23. Electronic relaxation dynamics of Ni2+-ion aqueous solution: Molecular-dynamics simulation Reviewed

    S. Iuchi, A. Morita, and S. Kato

    J. Chem. Phys.   Vol. 123   page: 024505(1-11)   2005.7

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    Language:English   Publishing type:Research paper (scientific journal)  

  24. Potential energy surfaces and dynamics of Ni2+ ion aqueous solution: Molecular dynamics simulation of the electronic absorption spectrum Reviewed

    S. Iuchi, A. Morita, and S. Kato

    J. Chem. Phys.   Vol. 121   page: 8446-8457   2004.11

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    Language:English   Publishing type:Research paper (scientific journal)  

  25. Molecular Dynamics Simulation with the Charge Response Kernel: Vibrational Spectra of Liquid Water and N-Methylacetamide in Aqueous Solution Reviewed

    S. Iuchi, A. Morita, and S. Kato

    J. Phys. Chem. B   Vol. 106   page: 3466-3476   2002.4

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    Language:English   Publishing type:Research paper (scientific journal)  

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Books 1

  1. 錯体の溶液化学

    横山晴彦, 田端正明 編著( Role: Joint author)

    三共出版  2012.5 

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    Language:Japanese

MISC 3

  1. 超高速のスピン状態変化を伴う鉄錯体の励起状態ダイナミクスの動力学計算

    井内 哲

    分子シミュレーション研究会会誌アンサンブル   Vol. 18 ( 4 ) page: 216-219   2016.10

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    Language:Japanese  

  2. Development of a Model Electronic Hamiltonian for Understanding Electronic Relaxation Dynamics of [Fe(bpy)3]2+ through Molecular Dynamics Simulations Reviewed

    S. Iuchi and N. Koga

    AIP Conf. Proc.   Vol. 1702   page: 090022   2015.12

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    Language:English  

  3. 溶液内における遷移金属錯体の電子励起状態とそのダイナミックスを扱う分子動力学シミュレーション

    井内哲

    分子シミュレーション研究会会誌アンサンブル   Vol. 14 ( 1 ) page: 26-31   2012.1

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    Authorship:Lead author   Language:Japanese  

Presentations 26

  1. トリスビピリジン鉄(II)錯体の励起緩和ダイナミクスに関する非断熱分子動力学計算

    井内 哲、古賀 伸明

    第25回理論化学討論会  2023.5.17 

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    Event date: 2023.5

    Language:Japanese   Presentation type:Oral presentation (general)  

  2. Non-adiabatic molecular dynamics simulation of excited state dynamics of [Fe(bpy)3]2+ using a model electronic Hamiltonian Invited International conference

    S. Iuchi

    The 8th Quantum Science Symposium, ICCMSE 2022   2022 

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    Event date: 2022.10

    Language:English  

    Venue:Greece/Online  

  3. トリスビピリジン鉄(II)錯体の励起状態ダイナミクスに関する分子動力学シミュレーション研究

    井内 哲,古賀 伸明

    第16回分子科学討論会  2022.9.20 

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    Event date: 2022.9

    Language:Japanese   Presentation type:Poster presentation  

  4. 動力学計算のための鉄(II)錯体の電荷移動励起状態とd-d励起状態を同時計算するモデルハミルトニアン

    井内哲,古賀伸明

    第23回理論化学討論会  2021.5.15 

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    Event date: 2021.5

    Language:Japanese   Presentation type:Oral presentation (general)  

  5. Molecular dynamics simulations of ultrafast electronic relaxation dynamics in an iron(II) complex Invited

    Satoru Iuchi

    15th International Workshop on Quantum Reactive Scattering (QRS2019) 

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    Event date: 2019.7

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  6. A model electronic Hamiltonian to study charge transfer and d-d excited states of the iron(II) tris(bipyridine) complex

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    Event date: 2018.9

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  7. Molecular dynamics simulations of light-induced spin crossover in an iron(II) complex: a model electronic Hamiltonian approach Invited International conference

    Satoru Iuchi

    4th Computational Chemistry Symposium in ICCMSE 2018 

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    Event date: 2018.3

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Greece  

  8. Computational study on ultrafast electronic relaxation in an iron(II) complex Invited

    Satoru Iuchi

    International workshop on numerical methods and simulations for materials design and strongly correlated quantum matters 

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    Event date: 2017.3

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  9. Model electronic Hamiltonian for transition metal complexes: application to molecular dynamics simulation of light-induced spin crossover Invited International conference

    Satoru Iuchi

    The 3rd China-Japan-Korea Workshop on Theoretical and Computational Chemistry 

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    Event date: 2017.1

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Korea, Republic of  

  10. Molecular dynamics simulation of light-induced spin crossover in [Fe(bpy)3]2+ Invited

    Satoru Iuchi

    International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems (MSCRS2016) 

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    Event date: 2016.10

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  11. Molecular Dynamics Simulation for Insight into Light-induced Spin Crossover in Iron Complexes Invited

    Satoru Iuchi

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    Event date: 2016.3

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  12. スピン状態変化を伴う鉄(II)錯体の励起状態ダイナミクスの分子動力学シミュレーション研究

    井内哲,古賀伸明

    第18回理論化学討論会 

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    Event date: 2015.5

    Language:Japanese   Presentation type:Oral presentation (general)  

    Country:Japan  

  13. 鉄(II)錯体の励起状態におけるスピン状態変化ダイナミクスの動力学シミュレーション研究

    井内哲, 古賀伸明

    第8回分子科学討論会 

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    Event date: 2014.9

    Language:Japanese   Presentation type:Oral presentation (general)  

    Country:Japan  

  14. Fe(II)錯体の励起状態におけるスピン状態変化ダイナミクスのシミュレーション研究

    井内哲, 古賀伸明

    錯体化学会第64回討論会 

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    Event date: 2014.9

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  15. Development of model effective Hamiltonian to study low-lying d-d excited states of [Fe(bpy)3]2+

    Satoru Iuchi and Nobuaki Koga

    5th JCS International Symposium on Theoretical Chemistry 

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    Event date: 2013.12

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

  16. 動力学計算に向けた鉄錯体の励起状態ポテンシャル関数の開発

    井内哲, 古賀伸明

    第7回分子科学討論会 

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    Event date: 2013.9

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  17. トリスビピリジン鉄(II)錯体のスピン状態に関する理論的研究

    井内哲

    第6回分子科学討論会 

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    Event date: 2012.9

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  18. Molecular Dynamics Simulation Study of Electronic Excited States of Transition Metal Complexes in Aqueous Solution

    Satoru Iuchi

    JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems 

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    Event date: 2012.5

    Language:English   Presentation type:Oral presentation (invited, special)  

    Country:Japan  

  19. トリスビピリジン鉄(II)錯体のポテンシャルモデルの開発:水溶液中における低•高スピン状態の分子動力学シミュレーション

    井内哲

    第25回分子シミュレーション討論会 

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    Event date: 2011.12

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  20. 水溶液中におけるトリスビピリジン鉄(II)錯体の低•高スピン状態に対する分子動力学シミュレーション

    井内哲

    第34回溶液化学シンポジウム 

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    Event date: 2011.11

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  21. トリスビピリジン鉄(II)錯体のポテンシャルモデルの開発と分子動力学シミュレーション

    井内哲

    第14回理論化学討論会 

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    Event date: 2011.5

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  22. 遷移金属錯体の電子励起状態を記述するポテンシャルモデルの開発

    井内哲

    第24回分子シミュレーション討論会 

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    Event date: 2010.11

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  23. Molecular dynamics simulation study on hydrated excess proton behavior at water-hydrophobic interfaces

    Satoru Iuchi

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    Event date: 2010.3

    Language:English   Presentation type:Oral presentation (invited, special)  

  24. 遷移金属錯体の電子状態とダイナミックスに関する理論的研究

    井内哲

    第32回溶液化学シンポジウム(プレシンポジウム) 

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    Event date: 2009.11

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

  25. スピン軌道相互作用を考慮した遷移金属イオン水溶液のシミュレーション

    井内哲, 榊茂好

    第3回分子科学討論会 

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    Event date: 2009.9

    Language:Japanese   Presentation type:Poster presentation  

    Country:Japan  

  26. An effective pairwise force field for a polarizable water model from the force-matching method International conference

    Satoru Iuchi, Sergei Izvekov, Gregory A. Voth

    XIIth International Congress of Quantum Chemistry 

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    Event date: 2006.5

    Language:English   Presentation type:Poster presentation  

    Country:Japan  

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KAKENHI (Grants-in-Aid for Scientific Research) 3

  1. 遷移金属錯体の励起状態ダイナミクスに関するシミュレーションの深化

    Grant number:22K05021  2022.4 - 2026.3

    科学研究費助成事業  基盤研究(C)

    井内 哲

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    Authorship:Principal investigator  Grant type:Competitive

    Grant amount:\3380000 ( Direct Cost: \2600000 、 Indirect Cost:\780000 )

  2. 遷移金属錯体の励起状態における超高速緩和ダイナミクスの理論的解明

    Grant number:17K05747  2017.4 - 2022.3

    科学研究費助成事業  基盤研究(C)

    井内 哲

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    Authorship:Principal investigator  Grant type:Competitive

    Grant amount:\4810000 ( Direct Cost: \3700000 、 Indirect Cost:\1110000 )

  3. 溶液内の遷移金属錯体・クラスターの安定性とダイナミックスに関する講究

    Grant number:17H03009  2017.4 - 2022.3

    科学研究費助成事業  基盤研究(B)

    佐藤 啓文, 井内 哲

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    Authorship:Coinvestigator(s)  Grant type:Competitive