Updated on 2024/09/30
博士（理学） （ 2005.3 京都大学 ）
Theoretical study on excited state dynamics
Assistant Professor, Graduate School of Information Science, Nagoya University
2010.4
Country：Japan
Program-Specific Assistant Professor, Graduate School of Engineering, Kyoto University
2009.4
Country：Japan
Program-Specific Research Center Assistant Professor, iCeMS, Kyoto University
2008.10
Country：Japan
Program-Specific Researcher, Graduate School of Engineering, Kyoto University
2008.8
Country：Japan
Postdoctoral Researcher, University of Utah
2005.6
Kyoto University Graduate School of Science
2001.4 - 2005.3
Country： Japan
Kyoto University Graduate School of Science
1999.4 - 2001.3
Country： Japan
Kyoto University Faculty of Agriculture
1995.4 - 1999.3
Country： Japan
Japan Society for Molecular Science
Chemical Society of Japan
Japan Society of Theoretical Chemistry
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Metal Ions and Complexes in Solution, Coordination Chemistry Fundamentals Series No. 2
Edited by Toshio Yamaguchi and Ingmar Persson（ Role： Contributor , Chapter 6）
Royal Society of Chemistry 2023.12
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
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
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
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
A nonadiabatic simulation investigation of ultrafast electronic relaxation of a prototypical iron(II) complex Invited International conference
Satoru Iuchi
The 10th Quantum Science Symposium, ICCMSE 2024 2024.9.28
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
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
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
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
Molecular dynamics simulations of ultrafast electronic relaxation dynamics in an iron(II) complex Invited
Satoru Iuchi
15th International Workshop on Quantum Reactive Scattering (QRS2019)
A model electronic Hamiltonian to study charge transfer and d-d excited states of the iron(II) tris(bipyridine) complex
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
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
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
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)
Molecular Dynamics Simulation for Insight into Light-induced Spin Crossover in Iron Complexes Invited
Satoru Iuchi
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
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
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
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
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
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
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
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
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
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
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
Molecular dynamics simulation study on hydrated excess proton behavior at water-hydrophobic interfaces
Satoru Iuchi
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）
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
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
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
Authorship：Principal investigator Grant type：Competitive
Grant amount：\3380000 （ Direct Cost: \2600000 、 Indirect Cost：\780000 ）
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
Authorship：Principal investigator Grant type：Competitive
Grant amount：\4810000 （ Direct Cost: \3700000 、 Indirect Cost：\1110000 ）
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
Authorship：Coinvestigator(s) Grant type：Competitive
