Research theme for competitive and other funds (10):
2023 - 2026 電解発生活性化学種の利用による新物質変換系の構築
2020 - 2024 Infrared emission mechanism of fullerene C60 and its cosmic abundance
2017 - 2022 Elucidation of mechanism and etraction of key for hybrid catalytic systems based on the automated reaction path search method
2018 - 2021 Creation and Development of (sigma + pi) Double Aromatic and Double Delocalized Systems
2015 - 2019 Revolutionizing organic chemistry by utilizing water as solvent
2015 - 2019 量子化学計算によるランタノイド発光センサーの機構解明と配位子デザイン
2016 - 2017 柔らかな不斉触媒系の立体選択性制御機構の解明
2015 - 発光・消光経路のデータベース化によるランタノイド発光センサーの分子設計指針の構築
2014 - 2015 Theoretical study of the regioselectivity of polymerization catalyzed by rare earth complexes
2014 - 2015 柔らかな不斉触媒を用いる水中での高立体選択的反応の機構解明
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Papers (56):
Takayoshi Yoshimura, Hiromoto Kato, Shunto Oikawa, Taichi Inagaki, Tetsunori Sugawara, Tomonori Miyao, Takamitsu Matsubara, Hiroharu Ajiro, Mikiya Fujii, Yu-ya Ohnishi, et al. CopDDB: a descriptor database for copolymers and its application to the machine learning. 2024
Tomonari Wakabayashi, Hal Suzuki, Miho Hatanaka, Hiroyuki Wakabayashi, Takeshi Kodama. Infrared emission spectra of fullerene C60 thin films. Physical Review B. 2024
Tomoya Inoue, Miho Hatanaka, Atsushi Nakajima. Oxidative Activation of Small Aluminum Nanoclusters with Boron Atom Substitution prior to Completing the Endohedral B@Al12- Superatom. Journal of the American Chemical Society. 2023
Insights into the Luminescence Quantum Yields of Cyclometalated Iridium (III) Complexes: a Density Functional Theory and Machine Learning Approach. 2023
Taichi Inagaki, Miho Hatanaka, Shinji Saito. Anisotropic and Finite Effects on Intermolecular Vibration and Relaxation Dynamics: Low-Frequency Raman Spectroscopy of Water Film and Droplet on Graphene by Molecular Dynamics Simulations. The Journal of Physical Chemistry B. 2023
Computational Chemistry Meets Machine Learning: A Case Study of Lanthanide Luminescence Material
(6th Autumn School of Chemoinformatics in Nara, 2019 2019)
Combined Usage of Computational Chemistry and Machine Learning: A Case Study on Lanthanide Luminescence
(12th International Symposium on Integrated Synthesis(ISONIS-12) 2019)
2002 - 2006 Keio University Faculty of Science and Technology Department of Chemistry
1999 - 2002 横浜雙葉高等学校
Work history (7):
2020/04 - 現在 Keio University Faculty of Science and Technology Department of Chemistry
2020/04 - 2021/03 Nara Institute of Science and Technology
2017/04 - 2020/03 Nara Institute of Science and Technology Institute for Research Initiatives, Graduate School of Science and Technology, Data Science Center Associate Professor
2015/12 - 2019/03 Japan Science and Technology Agency
2015/04 - 2017/03 Kindai university
2011/04 - 2015/03 Kyoto University Fukui Institute for Fundamental Chemistry Fukui fellow
2009/04 - 2010/03 Keio University Graduate School of Science and Technology Research Associate (fixed term/research incentive)