Uratani Hiroki 浦谷浩輝

Researcher Number	50897296
Other IDs	https://orcid.org/0000-0002-8411-3429
Affiliation (Current)	2026: 京都大学, 工学研究科, 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 / 密度汎関数強束縛法 / 半導体光触媒 / 反応メカニズム / 量子化学MDシミュレーション / ペロブスカイト構造 / 量子化学シミュレーション / 放射光 / 赤外吸収分光 / マイクロ電極 / 多電子反応 / 電子励起状態 / オペランド計測 / 反応速度論 Less

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
  
  Onishi Hiroshi
- 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 2025 2024 2023 2022 2021

All Journal Article Presentation

[Journal Article] Discrete coordination nanochains based on photoluminescent dyes reveal intrachain exciton migration dynamics2025
- Author(s)
  Toyoda Ryojun、Fukui Naoya、Taniguchi Haru、Uratani Hiroki、Komeda Joe、Chiba Yuta、Takaya Hikaru、Nishihara Hiroshi、Sakamoto Ryota
- Journal Title
  
  Nature Communications
  
  Volume: 16 Issue: 1 Pages: 1367-1367
- DOI
  10.1038/s41467-025-56381-0
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-23H03976, KAKENHI-PROJECT-22K19040, KAKENHI-PROJECT-24K01494, KAKENHI-PROJECT-24KJ0442
[Journal Article] Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination2024
- Author(s)
  Pananusorn Puttipong、Sotome Hikaru、Uratani Hiroki、Ishiwari Fumitaka、Phomphrai Khamphee、Saeki Akinori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 161 Issue: 18 Pages: 184710-184710
- DOI
  10.1063/5.0227785
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05836, KAKENHI-PUBLICLY-23H03976, KAKENHI-PROJECT-24H00484
[Journal Article] Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding Method2024
- Author(s)
  Ohno Shota、Uratani Hiroki、Nakai Hiromi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 128 Issue: 29 Pages: 5999-6009
- DOI
  10.1021/acs.jpca.4c02422
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23H03976, KAKENHI-PROJECT-22H00344
[Journal Article] Encapsulation-induced hypsochromic shift of emission properties from a cationic Ir(III) complex in a hydrogen-bonded organic cage: A theoretical study2024
- Author(s)
  Uratani Hiroki、Horiuchi Shinnosuke
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 161 Issue: 20 Pages: 201101-201101
- DOI
  10.1063/5.0238325
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-23H03941, KAKENHI-PUBLICLY-23H03976, KAKENHI-PROJECT-23K04775
[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] 時間依存Kohn-Sham方程式に基づく透熱的電子軌道の構成と励起状態ダイナミクスへの応用2025
- Author(s)
  浦谷浩輝, 佐藤啓文
- Organizer
  凝縮系の理論化学
- Data Source
  KAKENHI-PUBLICLY-23H03976
[Presentation] Non-adiabatic molecular dynamics approach for simulating nanoscale excited-state phenomena2025
- Author(s)
  Hiroki Uratani
- Organizer
  日本化学会アジア国際シンポジウム
- Invited
- Data Source
  KAKENHI-PUBLICLY-23H03976
[Presentation] 第一原理計算を用いたSrドープ NaTaO3光触媒における水分解促進の起源に関する研究2025
- Author(s)
  森本流星, 浦谷浩輝, 佐藤啓文
- Organizer
  凝縮系の理論化学
- Data Source
  KAKENHI-PUBLICLY-23H03976
[Presentation] 第一原理計算を用いたSrドープNaTaO3光触媒における水分解促進の起源に関する研究2025
- Author(s)
  森本流星; 浦谷浩輝; 佐藤啓文
- Organizer
  研究会「凝縮系の理論化学」
- Data Source
  KAKENHI-PROJECT-22H00344
[Presentation] 理論計算に基づくチエニルジケトン類のメカノクロミズムに関する研究2025
- Author(s)
  大山慧汰, 浦谷浩輝, 杉山佳奈美, 谷洋介, 佐藤啓文
- Organizer
  凝縮系の理論化学
- Data Source
  KAKENHI-PUBLICLY-23H03976
[Presentation] Fragmentation-based approaches to large-scale nonadiabatic molecular dynamics and real-time electron dynamics2025
- Author(s)
  Hiroki Uratani
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP2025)
- Invited / Int'l Joint Research
- 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] Deciphering charge separation mechanisms at donor:acceptor interfaces in organic photovoltaics using real-time quantum-dynamical simulations2024
- Author(s)
  Hiroki Uratani
- Organizer
  SICC-12
- Invited / Int'l Joint Research
- 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] Real-Time Quantum-Classical Simulation as an Observation Tool for Dynamic Exciton Phenomena2024
- Author(s)
  Hiroki Uratani
- Organizer
  245th ECS Meeting
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-23H03976
[Presentation] Real-time electronic-nuclear dynamics simulation as an observation tool for excited-state phenomena2024
- Author(s)
  Hiroki Uratani
- Organizer
  Saudi-Japan Conference on Future Materials for the Energy Revolution
- Invited / Int'l Joint Research
- 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-PUBLICLY-23H03976
[Presentation] Non-adiabatic molecular dynamics method using electronic configurations as many-electron basis set2024
- Author(s)
  Hiroki Uratani and Hirofumi Sato
- Organizer
  The 8th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry (JCS8)
- 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-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. Onishi Hiroshi (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
4. 佐伯昭紀

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
5. 堀内新之介

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Uratani Hiroki 浦谷 浩輝

Research Projects

Research Products

Co-Researchers

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

Project Period (FY)

Research Category

Review Section

Research Institution

Semiconductor Photocatalysts for Artificial Photosynthesis: Operando Characterization of Reaction Kinetics in Milliseconds

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development and application of real-time simulation methods for dynamic exciton phenomena in molecular aggregatesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Studies on nonlocal excited-state dynamics in semiconductors via novel computational-chemistry techniquesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Discrete coordination nanochains based on photoluminescent dyes reveal intrachain exciton migration dynamics2025

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Molecular models of PM6 for non-fullerene acceptor organic solar cells: How DAD and ADA structures impact charge separation and charge recombination2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding Method2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Encapsulation-induced hypsochromic shift of emission properties from a cationic Ir(III) complex in a hydrogen-bonded organic cage: A theoretical study2024

Author(s)

Journal Title

DOI

Data Source

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

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Nanoscale and Real-Time Nuclear-Electronic Dynamics Simulation Study of Charge Transfer at the Donor-Acceptor Interface in Organic Photovoltaics2023

Author(s)

Journal Title

DOI

Data Source

[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)

Journal Title

DOI

Data Source

[Journal Article] Scalable Ehrenfest Molecular Dynamics Exploiting the Locality of Density-Functional Tight-Binding Hamiltonian2021

Author(s)

Journal Title

DOI

Data Source

[Presentation] 時間依存Kohn-Sham方程式に基づく透熱的電子軌道の構成と励起状態ダイナミクスへの応用2025

Author(s)

Organizer

Data Source

[Presentation] Non-adiabatic molecular dynamics approach for simulating nanoscale excited-state phenomena2025

Author(s)

Organizer

Data Source

[Presentation] 第一原理計算を用いたSrドープ NaTaO3光触媒における水分解促進の起源に関する研究2025

Author(s)

Organizer

Data Source

Uratani Hiroki 浦谷浩輝