Job title：
Associate Professor
Other affiliations (2)：
Hokkaido University
WPI-ICReDD
Hokkaido University
Research Center of Mathematics for Social Creativity (MSC), Research Institute for Electronic Science (RIES)
Concurrent Associate Professor
2023 - 2026 Computational Research on Materials with Better Functions and Durability Toward Sustainable Development
2023 - 2025 大規模量子分子動力学計算と準安定結晶構造探索に基づく超秩序構造の理論的研究
2021 - 2024 Acceleration of the Development of Organic Reactions Based on the Fusion of Automatic Synthesis Robots and Information Science
2021 - 2023 Elucidation of synergistic effects and dynamic properties of hyper-ordered structures using large-scale quantum chemical calculations and crystal structure database
2020 - 2023 High-order many body correlation analysis of network forming glass based on comprehensive integration of experimental, theoretical and data sciences
2010 - 2012 Development of the geminal-based quantum chemical theory and its application to nanomagnetic devices
2006 - 2009 Development of accelerated quantum dynamics theory
2006 - 2007 大規模電子状態計算を用いた光合成アンテナ複合体に関する研究
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Papers (99)：
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
Yuto Goto, Kanta Ando, Hideo Takakura, Kohei Nakajima, Masato Kobayashi, Osamu Inanami, Tetsuya Taketsugu, Mikako Ogawa. Development of a red-shifted photosensitizer for near-infrared photoimmunotherapy of cancer. Journal of Photochemistry and Photobiology. 2024. 20. 100230-100230
Koki Ogawara, Osamu Inanami, Hideo Takakura, Kenichiro Saita, Kohei Nakajima, Sonu Kumar, Naoya Ieda, Masato Kobayashi, Tetsuya Taketsugu, Mikako Ogawa. Theoretical Design and Synthesis of Caged Compounds Using X-Ray-Triggered Azo Bond Cleavage. Advanced Science. 2024
Hiroshi Teramoto, Takuya Saito, Masamitsu Aoki, Burai Murayama, Masato Kobayashi, Takenobu Nakamura, Tetsuya Taketsugu. Reproducing the Reaction Route Map on the Shape Space from Its Quotient by the Complete Nuclear Permutation-Inversion Group. Journal of Chemical Theory and Computation. 2023. 19. 17. 5886-5896
Burai Murayama, Masato Kobayashi, Masamitsu Aoki, Suguru Ishibashi, Takuya Saito, Takenobu Nakamura, Hiroshi Teramoto, Tetsuya Taketsugu. Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology. Journal of Chemical Theory and Computation. 2023. 19. 15. 5007-5023
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
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
富川虎乃輔, 庄司淳, 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. Charge transfer emission of Ce(III) complexes with β-diketonate ligands. 希土類. 2023. 82
Analyses for Catalytic and Surface Adsorption Systems by Quantum Chemical Calculations × Informatics
(Lecture in AI Advanced Research Center at Gifu Univ. 2021)
Analyses and Prediction for Catalytic and Surface Adsorption Systems by Combining Quantum Chemical Calculations and Data Science
(RCCS & Nanotechnology Platform Workshop 2021 2021)
Data Scientific Analysis of Quantum Chemical Calculation Results for Surface Adsorption Systems and Its Application to Catalysis
(36th Computational Materials Design Workshop 2020)
Construction of quantum chemical calculation database of surface adsorption systems and its application to catalytic activity analysis
(ESICB Electron Theory Meeting 2019)
Data-Scientific Analysis of Quantum Chemical Calculation Results for Surface Adsorption Systems and Its Application to Catalysts
(Rare Events Workshop 2019 2019)
2004 - 2007 Waseda University Graduate School of Science and Engineering Department of Chemistry
1999 - 2003 Waseda University School of Science and Engineering Department of Chemistry
Professional career (1)：
PhD (Science) (Waseda University)
Work history (13)：
2021/10 - 現在 Hokkaido University Research Center of Mathematics for Social Creativity, Research Institute for Electronic Science Concurrent Faculty
2020/11 - 現在 Hokkaido University Faculty of Science Department of Chemistry Associate Professor
2019/04 - 現在 Hokkaido University WPI-ICReDD Concurrent Associate Professor
2014/04 - 2022/03 Kyoto University Elements Strategy Initiative for Catalysts and Batteries Project Associate Professor
2017/07 - 2020/10 Hokkaido University Faculty of Science Lecturer
2015/12 - 2019/03 JST PRESTO Researcher
2014/03 - 2017/06 Hokkaido University Faculty of Science Assistant Professor
2012/04 - 2014/02 Waseda University Waseda Institute for Advanced Study Assistant Professor
2008/04 - 2012/03 Waseda University Faculty of Science and Engineering Visiting Lecturer
2008/04 - 2012/03 National Institutes of Natural Sciences Institute for Molecular Science Research Fellow
2007/04 - 2008/03 Japan Society for the Promotion of Science Young Scientist Fellow (PD)
2007/10 - 2007/12 Eötvös Loránd University Visiting Scholar
2006/04 - 2007/03 Japan Society for the Promotion of Science Young Scientist Fellow (DC2)
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Committee career (10)：
2023/04 - 現在 The Chemical Society of Japan Secretary, Division of Theoretical, Information, and Computational Chemistry
2016/04 - 現在 National Institute of Science and Technology Policy (NISTEP) Investigator, Science and Technology Experts Network
- 現在 Secretariat Office
2021/10 - 2025/09 Japan Society of Theoretical Chemistry Secretary
- 2021/09 The 15th Annual Meeting of Japan Society for Molecular Science Organizing Committee
- 2019/05 22nd Symposium on Theoretical Chemistry Organizing Committee
- 2017/05 The 15th Annual Meeting of Society of Nano Science and Technology Organizing Committee
- 2015/06 31st Symposium on Chemical Kinetics and Dynamics Organizing Committee
2012/04 - 2014/03 Waseda Institute for Advanced Study (WIAS) Editorial board
- 2011/07 The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII) Secretariat Office (PR manager)
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Awards (3)：
2012 - 2nd CMSI Workshop Excellent Poster Award
2009 - Society of Computer Chemistry, Japan Yoshida Award (Excellent Paper Award)
2008 - WATOC2008 Poster Prize
Association Membership(s) (5)：
Japan Society of Theoretical Chemistry
, CATALYSIS SOCIETY OF JAPAN
, THE CHEMICAL SOCIETY OF JAPAN
, JAPAN SOCIETY FOR MOLECULAR SCIENCE
, SOCIETY OF COMPUTER CHEMISTRY, JAPAN
