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J-GLOBAL ID：202101016696303310 Update date: Mar. 29, 2025

Takuro Tsutsumi

ツツミタクロウ | Takuro Tsutsumi

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Research field (3)： Basic physical chemistry , Basic physical chemistry , Polymer chemistry

Research keywords (4)： Theoretical chemistry , Reaction Space Projector , Molecular dynamics simulation , Polymer chemistry

Research theme for competitive and other funds (9)：

2023 - 2026 構造活性相関解析が拓く機能性高分子開発
2022 - 2026 Development of reaction dynamics analysis based on reduced-dimensionality potential energy surface and application to photochemical reaction
2023 - 2025 SC-AFIR法によるin silicoスクリーニングに立脚した高分子構造異性体の安定性評価
2021 - 低次元反応空間に基づく第一原理分子動力学解析法の開発と応用
2020 - 2021 機械学習による励起状態ダイナミクスのモデル化及び記述子の選定

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Papers (25)：

Tatsuhiro Nakanishi, Takuro Tsutsumi, Yuriko Ono, Kazuki Sada, Tetsuya Taketsugu. Unraveling Reaction Path Bifurcation: Insights into Electron Movement via Natural Reaction Orbitals. Journal of Computational Chemistry. 2025
Ryuto KAMBARA, Takuro TSUTSUMI, Kenji FURUYA, Tetsuya TAKETSUGU. Dynamics of Doubly Ionized OCS Molecules and Hidden Reaction Pathways. Journal of Computer Chemistry, Japan. 2025. 24. 1. 5-9
Lihao Qu, Takuro Tsutsumi, Yuriko Ono, Tetsuya Taketsugu. Acceleration of Reaction Space Projector Analysis Using Combinatorial Optimization: Application to Organic Chemical Reactions. Journal of Chemical Theory and Computation. 2024. 20. 24. 10931-10941
Ryoichi Tanaka, Yuta Mizuno, Takuro Tsutsumi, Mikito Toda, Tetsuya Taketsugu, Tamiki Komatsuzaki. Low-dimensional projection of reactivity classes in chemical reaction dynamics using supervised dimensionality reduction. The Journal of Chemical Physics. 2024. 161. 15. 154103
Hikaru Kuramochi, Takuro Tsutsumi, Kenichiro Saita, Zhengrong Wei, Masahisa Osawa, Pardeep Kumar, Li Liu, Satoshi Takeuchi, Tetsuya Taketsugu, Tahei Tahara. Ultrafast Raman observation of the perpendicular intermediate phantom state of stilbene photoisomerization. Nature Chemistry. 2024. 16. 1. 22-27

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MISC (16)：

澤頭亮, 堤拓朗, 久保田千絵美, 渡辺隼人, 野原万梨, 大久保亮, 豊巻敦人, 橋本直樹. 躁うつ病とうつ病における神経認知機能障害の違い. CPSY TOKYO 2025. 2025
Gikyo Usuki, Takuro Tsutsumi, Kohei Hasebe, Masato Kobayashi, Keitaro Matsuoka, Tetsuya Taketsugu, Kazuki Sada. Development of Complete Enumeration Program for Polymer Structural Isomers: A Case of Nylon-n (n = 3-10). ChemRxiv. 2024
Ryoichi Tanaka, Yuta Mizuno, Takuro Tsutsumi, Mikito Toda, Tetsuya Taketsugu, Tamiki Komatsuzaki. Low-Dimensional Projection of Reactive Islands in Chemical Reaction Dynamics Using a Supervised Dimensionality Reduction Method. arXiv. 2024
Takuro Tsutsumi. Reaction Space Projector based on Dimensionality Reduction: Approach to Molecular Dynamics. Frountier, Journal of the Japan Society of Theoretical Chemistry. 2023. 5. 2. 110-121
中澤伸太, 斉田謙一郎, 堤拓朗, 堤拓朗, 渡辺昭敬, 武次徹也, 武次徹也. ナフタレン-四塩化炭素会合体の励起状態緩和経路とラジカル生成. 化学系学協会北海道支部冬季研究発表会(Web). 2023. 2023

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Books (3)：

Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map
Springer Singapore 2023 ISBN:9789819973217
New Horizons in Computational Chemistry Software
Springer International Publishing 2022 ISBN:9783031076572
Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics
Jenny Stanford Publishing Pte. Ltd. 2022

Lectures and oral presentations (73)：

Understandings of Solvation Structure surrounding Polymer by All-atom Molecular Dynamics Simulation
(凝縮系の理論化学 2025)
高分子構造異性体の全列挙プログラムPolyENUの開発と合成可能性の評価
(2024年度RadonPyコンソーシアム研究交流会 2025)
高分子構造異性体の全列挙プログラムの開発とin silicoスクリーニングに向けた高分子安定性評価
(IQCE 量子化学探索講演会2024 「量子化学で探る化学の最先端」 2024)
Virtual polymer generation program based on polymer structural isomers: Applications to commodity plastics and classification
(46th Symposium on Solution Chemistry of Japan 2024)
Virtual polymer generation program based on polymer structural isomers: Applications to commodity plastics and classification
(73rd Symposium on Macromolecules 2024)

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Education (4)：

2018 - 2021 Hokkaido University Graduate School of Chemical Sciences and Engineering
2016 - 2021 Ambitious Leader's Program, Hokkaido University
2016 - 2018 Hokkaido University Graduate School of Chemical Sciences and Engineering
2012 - 2016 Hokkaido University School of Science Faculty of Chemistry

Professional career (1)：

Ph. D. (Hokkaido University)

Work history (6)：

2023/04 - 現在 Hokkaido University Faculty of Science Department of Chemistry Assistant professor
2022/04 - 2023/03 Hokkaido University Creative Research Institution L-Station Ambitious Special Assistant Professor
2022/04 - 2023/03 Hokkaido University Faculty of Science Department of Chemistry Ambitious Special Assistant Professor
2021/04 - 2022/03 Hokkaido University Faculty of Science Department of Chemistry Postdoctoral Research Fellow
2018/04 - 2021/03 Japan Society for the Promotion of Science Research Fellowship for Young Scientists

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Awards (3)：

2021/12 - Springer Nature Springer Theses Ab initio Molecular Dynamics Analysis based on Reduced-dimensionality Reaction Route Map
2019/06 - Japan Society of Theoretical Chemistry 22nd Symposium on Theoretical Chemistry Best Poster Award Visualization of dynamical reaction pathways by a multidimensional reduction method
2018/06 - Japan Society of Theoretical Chemistry 21st Symposium on Theoretical Chemistry Best Oral Award AIMD trajectory analysis based on static reaction route map

Association Membership(s) (6)：

The Japan Association of Solution Chemistry , The Molecular Simulation Society of Japan , The Society of Polymer Science , Japan Society of Theoretical Chemistry , The Chemical Society of Japan , Japan Society for Molecular Science

※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

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