Keio University · Faculty of Science and Engineering / Graduate School of Science and Engineering · 教授

Research keywordscomputational chemistry・lanthanide complexes・molecular modeling・superatom structures・copolymerization optimization・ONIOM methodology

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• From Si16to Ge16: Geometric Origins of Robustness in Binary Cage Superatoms on Organic Substrates2026 · Journal of Physical Chemistry C 130
• An Approximate Method for Exploring Nonradiative Decay Pathways From Highly Excited States of Lanthanide Complexes: Application to Luminescent Cerium Complexes2026 · Journal of Computational Chemistry 47
• Comprehensive Molecular-Level Understanding of MgO Hydration through Computational Chemistry2026 · Journal of Physical Chemistry C 130
• Multi-objective Bayesian Optimization for Experimental Design in Copolymerization and Revealing Chemical Mechanism of Pareto Fronts2025 · ACS APPLIED ENGINEERING MATERIALS 3

• 金属錯体触媒データベースの構築による触媒開発の加速2024 · -
• 電解発生活性化学種の利用による新物質変換系の構築2023 · -
• データ駆動科学によるスマートスケーラブルケミストリーの確立2021 · -
• フラーレンC60の赤外発光メカニズムと宇宙存在度2020 · -

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