Rchr
J-GLOBAL ID：202001003141948712
Update date: Nov. 25, 2023
Uratani Hiroki
ウラタニ ヒロキ | Uratani Hiroki
Affiliation and department：
Job title：
Program-Specific Assistant Professor
Other affiliations (1)：
-
Japan Science and Technology Agency
PRESTO Researcher
Homepage URL (2)：
https://scholar.google.co.jp/citations?user=3CQh9joAAAAJ&hl=jp
,
https://scholar.google.co.jp/citations?user=3CQh9joAAAAJ&hl=en
Research keywords (6)：
dynamics
, non-adiabatic
, excited state
, theoretical chemistry
, computational chemistry
, quantum chemistry
Research theme for competitive and other funds (6)：
Papers (12)：
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Hiromi Nakai, Hiroki Uratani, Toshiki Morioka, Junichi Ono. Born-Oppenheimer molecular dynamics study on collective protein dynamics invoked by ultrafast photoisomerization of retinal chromophore in bacteriorhodopsin. Chemical Physics Letters. 2023. 140818-140818
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Tatsuki Hanada, Hiroki Uratani, Hiromi Nakai. Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear-electronic dynamics simulation study. The Journal of Chemical Physics. 2023. 159. 5. 054101
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Hiroki Uratani, Hiromi Nakai. Nanoscale and Real-Time Nuclear-Electronic Dynamics Simulation Study of Charge Transfer at the Donor-Acceptor Interface in Organic Photovoltaics. The Journal of Physical Chemistry Letters. 2023. 14. 2292-2300
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Hiroki Uratani, Hiromi Nakai. Scalable Ehrenfest Molecular Dynamics Exploiting the Locality of Density-Functional Tight-Binding Hamiltonian. Journal of Chemical Theory and Computation. 2021. 17. 12. 7384-7396
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Hiroki Uratani, Takeshi Yoshikawa, Hiromi Nakai. Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight Binding. Journal of Chemical Theory and Computation. 2021. 17. 3. 1290-1300
ｍore...
MISC (4)：
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浦谷 浩輝. 非局在化した励起状態を扱えるスケーラブルな Ehrenfest 動力学手法の開発. 理論化学会会誌「フロンティア」. 2022. 4. 4
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浦谷 浩輝. 複雑な系に適用可能な分割統治型非断熱分子動力学計算手法の開発と応用. アンサンブル. 2021. 23. 4. 269-275
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Hiroki URATANI, Chien-Pin CHOU, Hiromi NAKAI. Quantum Mechanical Molecular Dynamics Simulations of Polaron Formation in a Perovskite Solar Cell Material. Journal of Computer Chemistry, Japan. 2019. 18. 3. 142-144
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Hiroki Iriguchi, Hiroki Uratani, Takao Kudo, Hiroyuki Seki, Koichi Yamashita. Effects of Titania Coatings on Hydrodesulfurization Catalysts: Insights from First-principles Calculations. Journal of the Japan Petroleum Institute. 2018. 61. 5. 288-293
Education (4)：
- 2018 - 2021 Waseda University Graduate School of Advanced Science and Engineering Department of Chemistry and Biochemistry
- 2016 - 2018 The University of Tokyo The Graduate School of Engineering Department of Chemical System Engineering
- 2012 - 2016 Kyoto University Faculty of Engineering School of Industrial Chemistry
- 2009 - 2012 Shiga Prefectural Zeze High School
Professional career (3)：
- Doctor of Science (Waseda University)
- Master of Engineering (The University of Tokyo)
- Bachelor of Engineering (Kyoto University)
Work history (5)：
- 2023/10 - 現在 Japan Science and Technology Agency PRESTO Researcher
- 2023/04 - 現在 Graduate School of Engineering, Kyoto University Department of Molecular Engineering Program-Specific Assistant Professor
- 2021/04 - 2023/03 Waseda University School of Advanced Science and Engineering Assistant Professor
- 2020/10 - 2021/03 Waseda University School of Advanced Science and Engineering Research Associate
- 2018/04 - 2020/09 Japan Society for the Promotion of Science Research Fellowship for Young Scientists (DC1)
Awards (5)：
- 2023/11 - 第17回物性科学領域横断研究会 最優秀若手奨励賞
- 2022/05 - 第24回理論化学討論会 優秀講演賞
- 2020/09 - 分子科学会オンライン討論会 学生優秀講演賞
- 2019/07 - Poster Award, 10th Triennal Congress of the International Society for Theoretical Chemical Physics (ISTCP-X)
- 2019/06 - 日本コンピュータ化学会 奨学賞
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