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Uratani Hiroki  浦谷 浩輝

Researcher Number 50897296
Other IDs
  • ORCIDhttps://orcid.org/0000-0002-8411-3429
Affiliation (Current) 2025: 京都大学, 工学研究科, 特定助教
Affiliation (based on the past Project Information) *help 2023 – 2024: 京都大学, 工学研究科, 特定助教
2021 – 2022: 早稲田大学, 理工学術院, 助教
Review Section/Research Field
Principal Investigator
Transformative Research Areas, Section (II) / Basic Section 32010:Fundamental physical chemistry-related
Except Principal Investigator
Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
Keywords
Principal Investigator
ダイナミクス / 励起状態 / シミュレーション / 量子化学 / エキシトン / 計算化学 / 半導体 / 非断熱 / 時間発展 / 分子集合体 / 動的エキシトン … More
Except Principal Investigator
… More 光触媒 / エックス線吸収分光 / 赤外吸収分光 / マイクロ電極 / 多電子反応 / 電子励起状態 / 反応速度論 / 密度汎関数強束縛法 / ペロブスカイト構造 / 半導体光触媒 / オペランド計測 / 反応メカニズム Less
  • Research Projects

    (4 results)
  • Research Products

    (24 results)
  • Co-Researchers

    (3 People)
  •  仮想空間における高解像度実時間観察を通した動的エキシトン現象の理解と制御Principal Investigator

    • Principal Investigator
      浦谷 浩輝
    • Project Period (FY)
      2023 – 2024
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Kyoto University
  •  Semiconductor Photocatalysts for Artificial Photosynthesis: Operando Characterization of Reaction Kinetics in Milliseconds

    • Principal Investigator
      大西 洋
    • Project Period (FY)
      2022 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
    • Research Institution
      Kobe University
  •  Development and application of real-time simulation methods for dynamic exciton phenomena in molecular aggregatesPrincipal Investigator

    • Principal Investigator
      浦谷 浩輝
    • Project Period (FY)
      2021 – 2022
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Waseda University
  •  Studies on nonlocal excited-state dynamics in semiconductors via novel computational-chemistry techniquesPrincipal Investigator

    • Principal Investigator
      Uratani Hiroki
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Early-Career Scientists
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Kyoto University
      Waseda University

All 2024 2023 2022 2021

All Journal Article Presentation

  • [Journal Article] Born-Oppenheimer molecular dynamics study on collective protein dynamics invoked by ultrafast photoisomerization of retinal chromophore in bacteriorhodopsin2023

    • Author(s)
      Nakai Hiromi、Uratani Hiroki、Morioka Toshiki、Ono Junichi
    • Journal Title

      Chemical Physics Letters

      Volume: 830 Pages: 140818-140818

    • DOI

      10.1016/j.cplett.2023.140818

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K14591, KAKENHI-PUBLICLY-23H03976
  • [Journal Article] Nanoscale and Real-Time Nuclear-Electronic Dynamics Simulation Study of Charge Transfer at the Donor-Acceptor Interface in Organic Photovoltaics2023

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 14 Issue: 9 Pages: 2292-2300

    • DOI

      10.1021/acs.jpclett.2c03808

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K14591, KAKENHI-PUBLICLY-21H05407, KAKENHI-PROJECT-18H05264
  • [Journal Article] Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear-electronic dynamics simulation study2023

    • Author(s)
      Hanada Tatsuki、Uratani Hiroki、Nakai Hiromi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 159 Issue: 5 Pages: 054101-054101

    • DOI

      10.1063/5.0159424

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21K14591, KAKENHI-PUBLICLY-23H03976
  • [Journal Article] Scalable Ehrenfest Molecular Dynamics Exploiting the Locality of Density-Functional Tight-Binding Hamiltonian2021

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Journal Title

      The Journal of Chemical Theory and Computation

      Volume: 17 Issue: 12 Pages: 7384-7396

    • DOI

      10.1021/acs.jctc.1c00950

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-21H05407, KAKENHI-PROJECT-18H05264, KAKENHI-PROJECT-21K14591
  • [Presentation] 有機薄膜太陽電池におけるエキシトン解離過程の実時間シミュレーションと可視化2024

    • Author(s)
      浦谷 浩輝
    • Organizer
      ISSPワークショップ「デバイス活用で臨む有機伝導体の未来」
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] 有機薄膜太陽電池におけるエキシトン解離過程の実時間シミュレーションと可視化2024

    • Author(s)
      浦谷 浩輝
    • Organizer
      ISSPワークショップ「デバイス活用で臨む有機伝導体の未来」
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-23H03976
  • [Presentation] 動的エキシトン観察手段としての実時間シミュレーション:有機太陽電池における電荷分離過程を例に2024

    • Author(s)
      浦谷 浩輝
    • Organizer
      日本化学会春季年会
    • Invited
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] 動的エキシトン観察手段としての実時間シミュレーション:有機太陽電池における電荷分離過程を例に2024

    • Author(s)
      浦谷 浩輝
    • Organizer
      日本化学会春季年会
    • Invited
    • Data Source
      KAKENHI-PUBLICLY-23H03976
  • [Presentation] Kinetics of thermally activated delayed fluorescence in amorphous aggregates: effects of structural disorder2023

    • Author(s)
      Hiroki Uratani, Katsuyuki Shizu, and Hironori Kaji
    • Organizer
      TACC2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-23H03976
  • [Presentation] Kinetics of thermally activated delayed fluorescence in amorphous aggregates: effects of structural disorder2023

    • Author(s)
      Hiroki Uratani, Katsuyuki Shizu, and Hironori Kaji
    • Organizer
      TACC2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Development of a nanoscale excited-state nuclear-electronic dynamics simulation method and application to charge transfer in organic solar cells2023

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Organizer
      The Asia Pacific Association of Theoretical and Computational Chemistry (APATCC-10)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Development of a nanoscale excited-state nuclear-electronic dynamics simulation method and application to charge transfer in organic solar cells2023

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Organizer
      The Asia Pacific Association of Theoretical and Computational Chemistry (APATCC-10)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-21H05407
  • [Presentation] 有機薄膜太陽電池におけるエキシトン解離過程の非断熱量子分子動力学シミュレーション2023

    • Author(s)
      浦谷 浩輝
    • Organizer
      光化学討論会
    • Data Source
      KAKENHI-PUBLICLY-23H03976
  • [Presentation] 有機薄膜太陽電池におけるエキシトン解離過程の非断熱量子分子動力学シミュレーション2023

    • Author(s)
      浦谷 浩輝
    • Organizer
      光化学討論会
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Reduced-scaling nonadiabatic molecular dynamics techniques in the framework of density-functional tight binding2022

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Organizer
      World Association of Theoretical and Computational Chemists (WATOC) 2020
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] 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2022

    • Author(s)
      浦谷 浩輝、中井 浩巳
    • Organizer
      第24回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Toward excited-state molecular dynamics analyses of metal oxide photocatalysts: computational method developments and applications2022

    • Author(s)
      Hiroki Uratani
    • Organizer
      分子科学研究所研究会「金属酸化物:表面と薄膜の構造化学」
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-21H05407
  • [Presentation] Simulating Dynamic Excitons Via Quantum Molecular Dynamics: A Case Study in Lead Halide Perovskites2022

    • Author(s)
      Hiroki Uratani
    • Organizer
      241st Electrochemical Society (ECS) Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Toward excited-state molecular dynamics analyses of metal oxide photocatalysts: computational method developments and applications2022

    • Author(s)
      Hiroki Uratani
    • Organizer
      分子科学研究所研究会「金属酸化物:表面と薄膜の構造化学」
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Reduced-scaling nonadiabatic molecular dynamics techniques in the framework of density-functional tight binding2022

    • Author(s)
      Hiroki Uratani and Hiromi Nakai
    • Organizer
      World Association of Theoretical and Computational Chemists (WATOC) 2020
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-21H05407
  • [Presentation] 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2022

    • Author(s)
      浦谷 浩輝、中井 浩巳
    • Organizer
      第24回理論化学討論会
    • Data Source
      KAKENHI-PUBLICLY-21H05407
  • [Presentation] Simulating Dynamic Excitons Via Quantum Molecular Dynamics: A Case Study in Lead Halide Perovskites2022

    • Author(s)
      Hiroki Uratani
    • Organizer
      241st Electrochemical Society (ECS) Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-21H05407
  • [Presentation] 分割統治型励起状態計算に基づく非断熱分子動力学法:凝縮系における無輻射失活過程への展開2021

    • Author(s)
      浦谷 浩輝, 森岡 俊貴, 吉川 武司, 中井 浩巳
    • Organizer
      第23回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-21K14591
  • [Presentation] Large-scale excited-state nonadiabatic molecular dynamics simulations with divide-and-conquer approach2021

    • Author(s)
      Hiroki Uratani, Toshiki Morioka, Takeshi Yoshikawa, and Hiromi Nakai
    • Organizer
      第36回化学反応討論会
    • Data Source
      KAKENHI-PROJECT-21K14591
  • 1.  大西 洋 (20213803)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 2.  小堀 康博 (00282038)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 3.  長坂 将成 (90455212)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results

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