Nagoya University · Faculty of Informatics / Graduate School of Informatics · 助教

Research keywordsolefin polymerization catalysis・organometallic reaction dynamics・ion-pair effects・hafnium catalysts・replica-exchange molecular dynamics・machine learning descriptors・chain transfer polymerization・quantum chemical simulation

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• On the Bona Fide Sampling of Reaction Candidates in Red Moon Method by Replica-exchange Molecular Dynamics Method: REMD-RM Method and its Efficacy in Polymerization and Cross-linking Reactions of Polypropylene2026 · Journal of Computational Chemistry 47 巻 ( 7 ) 頁： e70341 2026年
• Atomistic Simulation of Ion Pair Aggregates of a (Pyridylamido)Hf(IV) Catalyst: Energetic Destabilization and Structural Diversity Induced by Monomer, Chain Transfer Agent, and Growing Polymer Chain2026 · Journal of Physical Chemistry B 130 巻 ( 11 ) 頁： 3131 - 3141 2026年
• The Role of Ion-Pair on the Olefin Polymerization Reactivity of Zirconium Bis(phenoxy-imine) Catalyst: Quantum Mechanical Study and its Beyond2025 · Pure and Applied Chemistry 2025年
• Atomistic Simulation of Olefin Polymerization Reaction by Organometallic Catalyst: Significant Role of Microscopic Structural Dynamics of (Pyridylamido)Hf(IV) Complex in Catalytic Reactivity2025 · Frontiers in Chemistry 13 巻 2025年

• 動的反応現象としての重合反応の計算化学的研究：時間スケールの壁と情報量の壁の克服2026 · 研究課題/研究課題番号： 26K08274 2026年4月 - 2029年3月
• ナノとメソを統合するトランススケール重合反応シミュレーション2024 · 2024年10月 - 2027年3月

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