HARABUCHI Yu 原渕祐

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Harabuchi Yu 原渕祐

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Researcher Number	60727204
Other IDs
Affiliation (Current)	2026: 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	2025: 北海道大学, 化学反応創成研究拠点, 特任教授 2023 – 2025: 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 Broad Section E / Transformative Research Areas, Section (II)
Keywords	Principal Investigator 量子化学計算 / 水素移動 / 反応サイクル / 水素原子移動 / 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 / 分子設計 / 光電子移動型触媒 / 分子蛍光 / 無輻射失活経路 … More Except Principal Investigator 機械学習ポテンシャル / 速度論 / 量子化学計算 / 自動探索 / 反応経路 / 化学情報学 / 化学空間 / 精密有機合成 / 自動合成ロボット / 情報科学 / 有機合成 / 理論化学 / 情報化学 / 構造有機化学 / 計算化学 / 自律合成 / 自動合成 Less

Development of a quantum chemistry based chemical reaction discovery method for heterogeneous catalysis, polymer growth, and two-dimensional material formation
- Principal Investigator
  
  前田理
- Project Period (FY)
  2025 – 2029
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Review Section
  
  Broad Section E
- 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)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 33020:Synthetic organic chemistry-related
- Research Institution
  Hokkaido University
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
Designing fluorescent molecular skeletons based on a prediction of non-radiative decay paths using potential crossing structures and machine learningPrincipal Investigator
- Principal Investigator
  
  Harabuchi Yu
- 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 2025 2024 2023

All Journal Article Presentation

[Journal Article] Photocatalytic Cyclization of 2-Phosphinobiaryls to Trivalent Dibenzophospholes2025
- Author(s)
  Masuda Yusuke、Harabuchi Yu、Kawamura Yukie、Morooka Nodoka、Maeda Satoshi、Sawamura Masaya
- Journal Title
  
  ACS Catalysis
  
  Volume: 15 Issue: 8 Pages: 6514-6524
- DOI
  10.1021/acscatal.5c01369
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K19002
[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-23K26782, KAKENHI-PROJECT-23K24001, KAKENHI-PROJECT-23K18171
[Journal Article] Chemography‐guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst2024
- Author(s)
  Gantzer Philippe、Staub Ruben、Harabuchi Yu、Maeda Satoshi、Varnek Alexandre
- Journal Title
  
  Molecular Informatics
  
  Volume: 44 Issue: 1
- DOI
  10.1002/minf.202400063
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-23H03808, KAKENHI-PROJECT-23K13702
[Journal Article] Tetraborylation of p-Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network2024
- Author(s)
  Nakatsuka Soichiro、Akiyama Seiji、Harabuchi Yu、Maeda Satoshi、Nagata Yuuya
- Journal Title
  
  JACS Au
  
  Volume: 4 Issue: 7 Pages: 2578-2584
- DOI
  10.1021/jacsau.4c00302
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-23H03808
[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] 量子化学計算に基づく化学反応解析: 実験・情報との連携研究への展開2025
- Author(s)
  原渕　祐
- Organizer
  スーパーコンピュータワークショップ2024
- Invited
- 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反応機構理解と反応設計への展開：光電子移動触媒を用いたラジカル反応への応用2024
- Author(s)
  原渕　祐
- Organizer
  第62回オーロラセミナー
- Invited
- Data Source
  KAKENHI-PROJECT-23K26647
[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. STAUB RUBEN・MORGAN・ADRIEN (20940274)

# of Collaborated Projects: 2 results

# of Collaborated Products: 1 results
2. 増田侑亮 (20822307)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
3. 長田裕也 (60512762)

# of Collaborated Projects: 1 results

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

# of Collaborated Projects: 1 results

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

# 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
7. 前田理 (60584836)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. VARNEK ALEXANDRE (40869111)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

HARABUCHI Yu 原渕 祐

Harabuchi Yu 原渕 祐

Research Projects

Research Products

Co-Researchers

Development of a quantum chemistry based chemical reaction discovery method for heterogeneous catalysis, polymer growth, and two-dimensional material formation

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

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

Designing fluorescent molecular skeletons based on a prediction of non-radiative decay paths using potential crossing structures and machine learningPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Photocatalytic Cyclization of 2-Phosphinobiaryls to Trivalent Dibenzophospholes2025

Author(s)

Journal Title

DOI

Data Source

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

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Chemography‐guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Tetraborylation of p-Benzynes Generated by the Masamune-Bergman Cyclization through Reaction Design Based on the Reaction Path Network2024

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] 量子化学計算に基づく化学反応解析: 実験・情報との連携研究への展開2025

Author(s)

Organizer

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反応機構理解と反応設計への展開：光電子移動触媒を用いたラジカル反応への応用2024

Author(s)

Organizer

HARABUCHI Yu 原渕祐

Harabuchi Yu 原渕祐