Yuki Kurashige

クラシゲユウキ | Yuki Kurashige

Affiliation and department：
Homepage URL (1)： http://kuchem.kyoto-u.ac.jp/riron/kura/jindex.html

Research field (1)： Basic physical chemistry

Research keywords (27)：量子化学 , 密度行列繰り込み群 , 励起状態 , 電子相関 , 電子状態 , 多参照電子相関理論 , 光合成系2 , ルシフェラーゼ , 磁場応答 , 分子物性 , 電子状態理論 , 水分解反応 , 多配置電子状態 , 項間交差 , 金属酵素 , 多参照理論 , 多配置理論 , 光学応答 , スピン軌道相互作用 , π共役 , 化学反応 , 超微細相互作用 , 光合成 , 計算化学 , 理論化学 , 多状態法 , フォトクロミック

Research theme for competitive and other funds (8)：

2019 - 2023 Development of an electron correlation theory for excited states of molecular aggregates
2016 - 2018 Theoretical analysis of photochemical reactions of transition metal complexes –– the complex processes involving spin symmetry changes ––
2014 - 2016 有機金属複合体など凝縮重電子系複合体の光反応の理論的研究
2013 - 2016 Theoretical investigation of the intermediate structures of catalytic cycles by the multi configurational theories
2013 - 2016 Theory and its applications based on density matrix renormalization group for multiple-electronic-state chemical processes

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Papers (59)：

Kentaro Hino, Yuki Kurashige. Encoding a Many-Body Potential Energy Surface into a Grid-Based Matrix Product Operator. Journal of Chemical Theory and Computation. 2024. 20. 9. 3839-3849
Katsuki Miyokawa, Yuki Kurashige. Zero-Field Splitting Tensor of the Triplet Excited States of Aromatic Molecules: A Valence Full-π Complete Active Space Self-Consistent Field Study. The Journal of Physical Chemistry A. 2024. 128. 12. 2349-2356
Soichiro Nishio, Yuki Oba, Yuki Kurashige. Statistical errors in reduced density matrices sampled from quantum circuit simulation and the impact on multireference perturbation theory. Physical Chemistry Chemical Physics. 2023. 25. 44. 30525-30535
Keita Sakamoto, Tomoyuki Hamachi, Katsuki Miyokawa, Kenichiro Tateishi, Tomohiro Uesaka, Yuki Kurashige, Nobuhiro Yanai. Polarizing agents beyond pentacene for efficient triplet dynamic nuclear polarization in glass matrices. Proceedings of the National Academy of Sciences. 2023. 120. 44
Kouto Tamamizu, Toshio Sakamoto, Yuki Kurashige, Shuho Nozue, Shigeichi Kumazaki. Scytonemin redox status in a filamentous cyanobacterium visualized by an excitation-laser-line-scanning spontaneous Raman scattering spectral microscope. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2023. 290. 122258-122258

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MISC (2)：

Takeshi Yanai, Yuki Kurashige. Entangled quantum electronic wavefunctions of biological systems: Density matrix renormalization group approach. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2013. 246
Yuki Kurashige. Density matrix renormalization group algorithm for metal complex chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2009. 238

Education (4)：

2005 - 2008 東京大学大学院工学系研究科応用化学専攻(博士後期課程)
2003 - 2005 東京大学大学院工学系研究科応用化学専攻(修士課程)
2001 - 2003 The University of Tokyo The Faculty of Engineering Department of Applied Chemistry
1999 - 2001 The University of Tokyo College of Arts and Sciences

Professional career (1)：

博士(工学) (東京大学)

Work history (4)：

2021/04 - 現在 Kyoto University, Graduate School of Science Department of Chemistry Associate Professor
2016/11 - 2021/03 Kyoto University, Graduate School of Science Department of Chemistry Program-specific Associated Professor
2016/04 - 2016/10 Kobe University, Graduate School of System Informatics Associate Professor
2008/04 - 2016/03 Institute for Molecular Science Assistant Professor

Awards (4)：

2016/04 - 文部科学大臣表彰若手科学者賞
2015/03 - 日本化学会進歩賞
2014/08 - 分子科学研究奨励森野基金
2012/06 - 自然科学研究機構若手研究者賞

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