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J-GLOBAL ID：202101016696303310   Update date: Sep. 26, 2024

Takuro Tsutsumi

ツツミ タクロウ | Takuro Tsutsumi
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 (19)：
  • 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
  • Satoi Wada, Takuro Tsutsumi, Kenichiro Saita, Tetsuya Taketsugu. Ab initio molecular dynamics study of intersystem crossing dynamics for MH2 (M = Si, Ge, Sn, Pb) on spin-pure and spin-mixed potential energy surfaces. Journal of Computational Chemistry. 2023. 45. 9. 552-562
  • Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, Takao Tsuneda. Total and orbital density-based analyses of molecules revealing long-range interaction regions. Journal of Computational Chemistry. 2023. 44. 31. 2391-2403
  • Takuro Tsutsumi, Yuriko Ono, Tetsuya Taketsugu. Multi-state Energy Landscape for Photoreaction of Stilbene and Dimethyl-stilbene. Journal of Chemical Theory and Computation. 2022. 18. 12. 7483-7495
  • Yuriko Ono, Takuro Tsutsumi, Yu Harabuchi, Tetsuya Taketsugu, Yasuhiko Fujii. Theoretical study of carbon isotope effects in the nonclassical carbonyl cation CO/[M(CO) ]+ (M = Cu, Ag, Au; n = 1-4). Chemical Physics Letters. 2022. 806. 140008-140008
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MISC (15)：
  • 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
  • Shuichi Ebisawa, Takuro Tsutsumi, Tetsuya Taketsugu. Extension of Natural Reaction Orbital Approach to Multiconfigurational Wavefunctions. Chemrxiv. 2022
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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  (68)：
  • Virtual polymer generation program based on polymer structural isomers: Applications to commodity plastics and classification
    (73rd Symposium on Macromolecules 2024)
  • Selection of Dimensionality Reduction Methods in Chemical Reaction Analysis: Construction Performance and Interpretability of Low-Dimensional Reaction Space
    (The 18th Annual Meeting of Japan Society for Molecular Science 2024 2024)
  • 線形次元縮約法による化学反応空間の可視化:反応経路ネットワークに対する検証
    (シンポジウム「化学反応経路探索のニューフロンティア2024」 2024)
  • 計算化学とデータ化学を活用した高分子化学空間の探索
    (2024年度 北海道高分子若手研究会 2024)
  • Exploration of unexplored polymers as synthetic targets [I]: Automatic generation of polymer structure and application to commodity plastics
    (73rd SPSJ Annual Meeting 2024)
ｍore...
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
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