Research field (1)：
Bio-, chemical, and soft-matter physics
Research theme for competitive and other funds (3)：
2022 - 2025 エンタルピー・エントロピー第一原理計算による電気化学界面反応へのアプローチ
2018 - 2021 Development of theoretical methods to investigate an electron transfer at electrode-electrolyte interface
2015 - 2018 Quantitative analysis of the solvation effects of microphase-separated ionic liquids with novel theoretical methods
Papers (27)：
Yuichi Tanaka, Hirofumi Sato, Hiroshi Nakano. Computational dielectric spectroscopy on solid-solution interface by time-dependent voltage applied molecular dynamics simulation. Journal of Chemical Physics. 2024. 160. 14
Ken Takahashi, Hirofumi Sato, Hiroshi Nakano. Iterative constant voltage molecular dynamics simulation on electrochemical interface at desired electrode potential. Chemical Physics Letters. 2023. 826
Yoshiaki Shoji, Ryo Komiyama, Miki Kobayashi, Atsuko Kosaka, Takashi Kajitani, Rie Haruki, Reiji Kumai, Shin Ichi Adachi, Tomofumi Tada, Naoyuki Karasawa, et al. Collective bending motion of a two-dimensionally correlated bowl-stacked columnar liquid crystalline assembly under a shear force. Science Advances. 2023. 9. 19
Ken Takahashi, Hiroshi Nakano, Hirofumi Sato. Accelerated constant-voltage quantum mechanical/molecular mechanical method for molecular systems at electrochemical interfaces. Journal of Chemical Physics. 2022. 157. 23
Ken Takahashi, Hiroshi Nakano, Hirofumi Sato. Unified polarizable electrode models for open and closed circuits: Revisiting the effects of electrode polarization and different circuit conditions on electrode-electrolyte interfaces. The Journal of Chemical Physics. 2022. 157. 1. 014111
QM/MM free energy calculation for electron transfer reactions
(Free energy calculations: Three decades of adventure in chemistry and biophysics 2017)
Solvent Electronic Polarization Effects on a Charge Transfer Excitation Studied by the Mean-Field QM/MM Method
(ICCMSE 2015 (Greece) 2015)
電子移動反応に対する媒質の電子分極効果
(凝縮系の理論化学 2015)
A quantum chemical approach to analyze orbital energy shifts of a molecule in solution: decomposition to the interaction sites' contributions
(50th Symposium on Theoretical Chemistry (Vienna 2014) 2014)
