Rchr
J-GLOBAL ID：200901077833421345
Update date: Nov. 03, 2024
Taketsugu Tetsuya
タケツグ テツヤ | Taketsugu Tetsuya
Affiliation and department：
Job title：
Professor
Other affiliations (1)：
Homepage URL (2)：
https://wwwchem.sci.hokudai.ac.jp/~qc/member/tetsuya-taketsugu/
,
https://wwwchem.sci.hokudai.ac.jp/~qc/en/member/tetsuya-taketsugu/
Research field (1)：
Basic physical chemistry
Research keywords (4)：
quantum chemistry
, Reaction Dynamics
, Computational Chemistry
, Theoretical Chemistry
Research theme for competitive and other funds (22)：
- 2016 - 2019 Theoretical study of reaction path bifurcation mapped on the global reaction route map
- 2015 - 2018 Nonadiabatic transition in photochemical reactions studied by time-resolved spectroscopy of molecular orbitals
- 2014 - 2017 Theoretical study on excited-state dynamics with plural factors
- 2011 - 2012 Ab initio simulation of matrix-isolation vibrational spectroscopy
- 2010 - 2012 A Theoretical Study on the catalytic activity of gold nanoparticles
- 2009 - 2011 Theoretical development of ab initio reaction dynamics approach and generalized program code
- 2008 - 2009 希ガスマトリックス効果を考慮した凝縮系振動スペクトルシミュレーションの理論開発
- 2006 - 2009 Ab initio Excited-State Reaction Dynamics and Its Applications to Photochemistry
- 2006 - 2008 Ab initio molecular dynamics simulation of dissociative recombination reaction of interstellar molecules
- 2005 - 2008 Asymmetric synthesis on the basis of conformation-control through cation-π interaction
- 2002 - 2003 水分子クラスターにおけるトンネル効果の理論的研究
- 2000 - 2001 内挿法によるabinitioポテンシャル曲面の生成とダイナミックスへの応用
- 1998 - 2000 Development of ab initio molecular orbital program for large-scale molecular systems
- 1998 - 1999 多原子分子反応におけるトンネル経路モデルの開発
- 1997 - 1998 Theoretical Study on the Photoreactions of Biological Compounds
- 1997 - 1997 固体表面での吸着反応に関する理論的研究
- 1996 - 1997 Time-dependent Approach in Theoretical Chemistry
- 1996 - 1996 多自由度トンネル反応の素過程と波束ダイナミックス
- 1996 - 1996 Pt表面でのNO吸着特性と直接分解反応に関する理論的研究
- 1996 - 1996 希土類錯体の電子状態や結合に関与するf-電子の役割りの理論的解明
- 励起状態の反応ダイナミクス
- Direct dynamics on electronic excited states
Show all
Papers (337)：
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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
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Risa Amano, Daisuke Nishizawa, Tetsuya Taketsugu, Takeshi Iwasa. Optical force and torque in near-field excitation of C3H6: A first-principles study using RT-TDDFT. The Journal of Chemical Physics. 2024. 161. 12. 124110
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Hanwen Liu, Cheng-Jie Yang, Chung-Li Dong, Jiashu Wang, Xin Zhang, Andrey Lyalin, Tetsuya Taketsugu, Zhiqi Chen, Daqin Guan, Xiaomin Xu, et al. Electrocatalytic Ammonia Oxidation to Nitrite and Nitrate with NiOOH-Ni. Advanced Energy Materials. 2024. 2401675
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Daisuke Nishizawa, Risa Amano, Tetsuya Taketsugu, Takeshi Iwasa. Near-field induced local excitation dynamics of Na10 and Na10-N2 from real-time TDDFT. The Journal of Chemical Physics. 2024. 161. 5. 054309
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Koki Tsuchiya, Hideo Takakura, Kohei Nakajima, Naoya Ieda, Takashi Kaneko, Takeshi Hirasawa, Masato Kobayashi, Yoshihisa Yamaoka, Miya Ishihara, Tetsuya Taketsugu, et al. Piperazine based pH-responsive cyanine dyes for cancer cell photoacoustic imaging. Journal of Photochemistry and Photobiology A: Chemistry. 2024. 453. 115634-115634
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MISC (83)：
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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
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富川虎乃輔, ワン メンフィ, 庄司淳, 赤間知子, 小林正人, 小林正人, 伏見公志, 中西貴之, 武次徹也, 武次徹也, et al. ヘキサフルオロアセチルアセトナートを有するセリウム錯体の電荷移動発光. 配位化合物の光化学討論会講演要旨集. 2023. 34th
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米山亮, 能條小夜子, 小林正人, 小林正人, 武次徹也, 武次徹也. 量子アニーリング計算と機械学習を用いた高精度量子化学計算法の開発. 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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小河原浩輝, 高倉栄男, 中島孝平, 斉田謙一郎, KUMAR Sonu, 小林正人, 武次徹也, 稲浪修, 小川美香子. Development of X-ray activated caged compounds by using azo bond cleavage. 日本癌学会学術総会抄録集(Web). 2023. 82nd
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村山武来, 小林正人, 小林正人, 青木雅允, 石橋卓, 齋藤琢弥, 中村壮伸, 寺本央, 武次徹也, 武次徹也. Creation of descriptors for potential energy surface using reaction route map and persistent homology. 分子科学討論会講演プログラム&要旨(Web). 2023. 17th
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Books (17)：
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ケモインフォマティクスにおけるデータ収集の最適化と解析手法
技術情報協会 2023
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計算化学
森北出版 2023 ISBN:9784627242333
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Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics
Jenny Stanford Publishing 2022 ISBN:9814968420
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Spectroscopy and computation of hydrogen-bonded systems
Wiley-VCH 2022 ISBN:3527349723
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化学便覧 基礎編 改訂6版
丸善出版 2021 ISBN:9784621305218
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Lectures and oral presentations (28)：
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Theoretical suggestion and experimental proof for functionalization of h-BN by gold as electrocatalysts for ORR and HER
(256th ACS National Meeting "Fundamental Understanding of Catalysis at Interface through Computational Approach" 2018)
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Reaction Path Concept in Quantum Chemistry and Dynamics Effects
(Geometry of Chemical Reaction Dynamics in Gas and Condensed Phases, TSRC workshop 2018)
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Dynamic Reaction Routes beyond the IRC network
(7th JCS SYMPOSIUM (Quantum chemistry, from methodology to applications in organic, inorganic, biochemistry and material sciences) 2018)
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理論と実験のインタープレイから生まれた新しい触媒:BN/Au
(ワークショップ「理論と実験の融合による高難度物質変換の反応機構解明にむけて」 2018)
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固有反応座標と動力学効果
(ワークショップ 「複合系の理論化学・計算化学:最近の研究状況と展望」 2018)
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Education (3)：
- - 1994 The University of Tokyo The Graduate School of Engineering
- - 1991 The University of Tokyo The Graduate School of Engineering
- - 1989 The University of Tokyo Faculty of Engineering Department of Synthetic Chemistry
Professional career (1)：
- Ph. D (The University of Tokyo)
Work history (4)：
- 2005/04 - 現在 Hokkaido University Faculty of Science, Department of Chemistry
- 1999/04 - 2005/03 Ochanomizu University Faculty of Science
- 1995/11 - 1999/03 The University of Tokyo The Graduate School of Engineering, Department of Applied Chemistry
- 1994 - 1995 アイオワ州立大学 博士研究員
Awards (3)：
- 2024/09 - Japan Society for Molecular Science The 15th Award of the Japan Society for Molecular Science Deepening the Understanding of Chemical Reaction Dynamics Based on the Concept of Reaction Pathways
- 2021/02 - Hokkaido University The Hokkaido University President’s Award for Excellence in Research and Education for AY2020
- 2019/03 - The Chemical Society of Japan The CSJ Award for Creative Work Ab Initio Elucidation of Electronically-Excited Reaction Processes and Dynamics
Association Membership(s) (4)：
理論化学会
, American Chemical Society
, 分子科学会
, 日本化学会
