柳井毅

Yanai Takeshi

所属機関・部署：
職名：教授

研究分野 (2件)：機能物性化学 , 基礎物理化学

研究キーワード (4件)：計算化学 , 電子状態計算 , 量子化学 , 物理化学

論文 (117件)：

Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai. Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals. The Journal of Chemical Physics. 2023. 158. 15
Kazuhiro J. Fujimoto, Fumika Minowa, Michiya Nishina, Shunta Nakamura, Sayaka Ohashi, Kota Katayama, Hideki Kandori, Takeshi Yanai. Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment. The Journal of Physical Chemistry Letters. 2023. 14. 7. 1784-1793
Tsubasa Iino, Toru Shiozaki, Takeshi Yanai. Algorithm for analytic nuclear energy gradients of state averaged DMRG-CASSCF theory with newly derived coupled-perturbed equations. The Journal of Chemical Physics. 2023. 158. 5
Naoki Noto, Akira Yada, Takeshi Yanai, Susumu Saito. Machine-Learning Classification for the Prediction of Catalytic Activity of Organic Photosensitizers in the Nickel(II)-Salt-Induced Synthesis of Phenols. Angewandte Chemie International Edition. 2023. 62. 11
Conner Masteran, Ashutosh Kumar, Nakul Teke, Bimal Gaudel, Takeshi Yanai, Edward F. Valeev. Comment on “Canonical transcorrelated theory with projected Slater-type geminals” [J. Chem. Phys. 136, 084107 (2012)]. The Journal of Chemical Physics. 2023. 158. 5

MISC (4件)：

書籍 (2件)：

学歴 (3件)：

学位 (1件)：

経歴 (7件)：

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委員歴 (1件)：

受賞 (7件)：

2018 - The 15th Japan Society for the Promotion of Science Award
2017 - The 2017 Pople Medal of Asia-Pacific Conference of Theoretical and Computational Chemistry
2014 - Bulletin of the Chemical Society of Japan Award
2013 - Japan Society of Molecular Science
2013 - Laureate, International Academy of Quantum Molecular Science Medal

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柳井 毅