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 (22)：
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
Kaori Fujii, Tomoaki Yagi, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura. Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski-Collins-Kimball equation. The Journal of Chemical Physics. 2021. 154. 15. 154504-154504
Jun Oshiki, Hiroshi Nakano, Hirofumi Sato. Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding. The Journal of Chemical Physics. 2021. 154. 14. 144107-144107
Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura. Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products. Physical Chemistry Chemical Physics. 2021. 23. 8. 4569-4579
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)
