Research field (2)：
Functional solid-state chemistry
, Basic physical chemistry
Research keywords (3)：
理論化学
, 分子シミュレーション
, 凝縮系化学反応
Research theme for competitive and other funds (3)：
2021 - 2025 分子シミュレーションで探る化学蓄熱の分子論的な律速過程と反応性向上への道
2020 - 2021 水の自己イオン化を引き起こす分子集団構造の理論的解明
2019 - 2020 固相化学反応を対象とした反応経路探索と反応速度・ダイナミクスの理論的解明
Papers (15)：
Yuichi Tanaka, Tomoyuki Kawase, Keitaro Matsuda, Hiroki Kondo, Taichi Inagaki, Masataka Nagaoka. Electrode Potential Effect on the Structures, Properties, and Formation Process of SEI Film in Lithium-Ion Batteries: Red Moon Analysis. The Journal of Physical Chemistry C. 2024. 128. 32. 13529-13538
Miho Hatanaka, Hiromoto Kato, Minami Sakai, Kosuke Kariya, Shunsuke Nakatani, Takayoshi Yoshimura, Taichi Inagaki. Insights into the Luminescence Quantum Yields of Cyclometalated Iridium(III) Complexes: A Density Functional Theory and Machine Learning Approach. The Journal of Physical Chemistry A. 2023. 127. 36. 7630-7637
Taichi Inagaki, Miho Hatanaka, Shinji Saito. Anisotropic and Finite Effects on Intermolecular Vibration and Relaxation Dynamics: Low-Frequency Raman Spectroscopy of Water Film and Droplet on Graphene by Molecular Dynamics Simulations. The Journal of Physical Chemistry B. 2023
Shigeki Gocho, Hajime Nakamura, Shu Kanno, Qi Gao, Takao Kobayashi, Taichi Inagaki, Miho Hatanaka. Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints. npj Computational Materials. 2023. 9. 1
Jinglun Du, Andrea Fiorani, Taichi Inagaki, Atsushi Otake, Michio Murata, Miho Hatanaka, Yasuaki Einaga. A New Pathway for CO2 Reduction Relying on the Self-Activation Mechanism of Boron-Doped Diamond Cathode. JACS Au. 2022. 2. 6. 1375-1382
2009 - 2014 Kyoto University Graduate School of Science Division of Chemistry
2007 - 2009 Kyoto University Graduate School of Science Division of Chemistry
2003 - 2007 Kanazawa University Faculty of Science Department of Chemistry
Professional career (1)：
博士(理学) (京都大学)
Work history (2)：
2020/04 - 現在 Keio University Faculty of Science and Technology Department of Chemistry
2019/04 - 2020/03 Institute for Molecular Science
Awards (2)：
2018/03 - 日本化学会 日本化学会第98春季年会 優秀講演賞(学術) Mechanism on potential shift of Au electrode immersed in ionic liquid: Crucial role of electron redistribution at interface
