HARABUCHI Yu 原渕祐

Researcher Number	60727204
Other IDs
Affiliation (Current)	2025: 北海道大学, 化学反応創成研究拠点 , 特任教授
Affiliation (based on the past Project Information) *help	2023 – 2024: 北海道大学, 化学反応創成研究拠点, 特任准教授 2022: 北海道大学, 理学研究院, 助教
Review Section/Research Field	Principal Investigator Basic Section 33020:Synthetic organic chemistry-related / Transformative Research Areas, Section (II) / Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields Except Principal Investigator Transformative Research Areas, Section (II)
Keywords	Principal Investigator 量子化学計算 / 水素原子移動 / 反応サイクル / 水素移動 / 光電子移動 / 機械学習 / 反応経路探索 / 化学空間 / 蛍光 / 円錐交差 … More / 量子化学 / 分子蛍光 / 無輻射失活経路 / 分子設計 … More Except Principal Investigator 理論化学 / 化学情報学 / 化学空間 / 精密有機合成 / 情報科学 / 自動合成ロボット / 情報化学 / 構造有機化学 / 計算化学 / 自律合成 / 自動合成 Less

Creation of gigantic chemical space science: Establishment of scientific principles for finding useful compounds from hundreds of millions of unknown compounds
- Principal Investigator
  
  長田裕也
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hokkaido University
量子化学計算と無輻射失活経路探索が操舵する巨大化学空間探索Principal Investigator
- Principal Investigator
  
  原渕祐
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hokkaido University
量子化学計算に基づく光電子移動と水素原子移動を含む反応サイクル全貌解明と触媒設計Principal Investigator
- Principal Investigator
  
  原渕祐
- Project Period (FY)
  2023 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 33020:Synthetic organic chemistry-related
- Research Institution
  Hokkaido University
円錐交差構造と機械学習を用いた無輻射失活経路予測に基づく蛍光分子骨格の理論設計Principal Investigator
- Principal Investigator
  
  原渕祐
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
- Research Institution
  Hokkaido University

All 2024 2023

All Journal Article Presentation

[Journal Article] Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution2024
- Author(s)
  Nagami Shotaro、Kaguchi Rintaro、Akahane Taichi、Harabuchi Yu、Taniguchi Tohru、Monde Kenji、Maeda Satoshi、Ichikawa Satoshi、Katsuyama Akira
- Journal Title
  
  Nature Chemistry
  
  Volume: - Issue: 6 Pages: 959-969
- DOI
  10.1038/s41557-024-01461-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K19002, KAKENHI-PROJECT-23K24001, KAKENHI-PROJECT-23K26782
[Journal Article] Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation2024
- Author(s)
  Ito Takuma、Maeda Satoshi、Harabuchi Yu
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 20 Issue: 5 Pages: 2049-2057
- DOI
  10.1021/acs.jctc.3c01383
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22KJ0018, KAKENHI-PLANNED-23H03808
[Journal Article] Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case2023
- Author(s)
  Staub Ruben、Gantzer Philippe、Harabuchi Yu、Maeda Satoshi、Varnek Alexandre
- Journal Title
  
  Molecules
  
  Volume: 28 Issue: 11 Pages: 4477-4477
- DOI
  10.3390/molecules28114477
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K19002, KAKENHI-PROJECT-23K13702
[Journal Article] 量子化学計算に基づく反応経路ネットワークの構築と有機合成反応開発への展開2023
- Author(s)
  原渕祐, 林裕樹, 髙野秀明, 美多剛
- Journal Title
  
  アンサンブル : 分子シミュレーション研究会会誌
  
  Volume: 25 Pages: 34-40
- Data Source
  KAKENHI-PROJECT-22K19002
[Presentation] Systematic exploration of reaction paths and non-radiative decay paths based on quantum chemical calculations toward chemical reaction discovery2024
- Author(s)
  Yu Harabuchi
- Organizer
  The 7th ICReDD International Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-23H03808
[Presentation] 量子化学計算に基づく化学反応解析：分子の光応答への応用2023
- Author(s)
  原渕　祐
- Organizer
  ICReDD・情報科学研究院・さきがけ量子情報処理領域共催ワークショップ～量子情報処理技術の化学反応に向けて～
- Invited
- Data Source
  KAKENHI-PROJECT-22K19002
[Presentation] Understanding photoresponse of molecules based on exploring nonadiabatic decay pathways: Application to the Knowles intramolecular hydroamination using photoredox catalyst2023
- Author(s)
  Yu Harabuchi
- Organizer
  the 10th edition of the conference of the Asia Pacific Association of Theoretical and Computational Chemistry (APATCC-10)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K19002
[Presentation] 反応経路ネットワークの計算と解析：光電子移動触媒を用いたラジカル反応の解析への展開2023
- Author(s)
  原渕　祐
- Organizer
  第３回分子科学シミュレーションワークショップ　計算化学とＭＩを導入した研究開発の加速と質の向上
- Invited
- Data Source
  KAKENHI-PROJECT-23K26647

1. 増田侑亮 (20822307)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 長田裕也 (60512762)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. SIDOROV PAVEL (30867619)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 熊谷直哉 (40431887)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. STAUB RUBEN・MORGAN・ADRIEN (20940274)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 林裕樹 (90802223)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

HARABUCHI Yu 原渕 祐

Research Projects

Research Products

Co-Researchers

Creation of gigantic chemical space science: Establishment of scientific principles for finding useful compounds from hundreds of millions of unknown compounds

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

量子化学計算と無輻射失活経路探索が操舵する巨大化学空間探索Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

量子化学計算に基づく光電子移動と水素原子移動を含む反応サイクル全貌解明と触媒設計Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

円錐交差構造と機械学習を用いた無輻射失活経路予測に基づく蛍光分子骨格の理論設計Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 量子化学計算に基づく反応経路ネットワークの構築と有機合成反応開発への展開2023

Author(s)

Journal Title

Data Source

[Presentation] Systematic exploration of reaction paths and non-radiative decay paths based on quantum chemical calculations toward chemical reaction discovery2024

Author(s)

Organizer

Data Source

[Presentation] 量子化学計算に基づく化学反応解析：分子の光応答への応用2023

Author(s)

Organizer

Data Source

[Presentation] Understanding photoresponse of molecules based on exploring nonadiabatic decay pathways: Application to the Knowles intramolecular hydroamination using photoredox catalyst2023

Author(s)

Organizer

Data Source

[Presentation] 反応経路ネットワークの計算と解析：光電子移動触媒を用いたラジカル反応の解析への展開2023

Author(s)

Organizer

Data Source

HARABUCHI Yu 原渕祐