Kindai University · Faculty of Science and Engineering · 准教授

Research keywords電子移動・機械学習原子間ポテンシャル・光合成・励起エネルギー移動・一重項分裂・有機半導体・有機太陽電池・嗅覚・準古典論・量子生物学

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• Classical cumulant dynamics for statistical chemical physics
• FMO3-LCMO study of electron transfer coupling matrix element and pathway: Application to hole transfer between two tryptophans through cis- and trans-polyproline-linker systems
• Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach
• Electronic coupling calculation and pathway analysis of electron transfer reaction using ab initio fragment-based method. I. FMO-LCMO approach

• 量子シミュレーション技術による未知の生体電子移動/機能発現の探索
• 多様な光合成反応中心の光捕集と電子移動と進化の理論的解析
• グラファイトナノロッドの1生体分子観察への応用
• 強電場下・大規模分子システムのための第一原理計算手法の確立

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