Hayashi Yoshihiro 林慶浩

Researcher Number	80739029
Other IDs
Affiliation (Current)	2023: 統計数理研究所, データ科学研究系, 助教
Affiliation (based on the past Project Information) *help	2022: 統計数理研究所, データ科学研究系, 助教 2019: 統計数理研究所, ものづくりデータ科学研究センター, 特任助教 2018: 東京工業大学, 物質理工学院, 特任助教 2017: 東京工業大学, 大学院総合理工学研究科, 研究員
Review Section/Research Field	Principal Investigator Basic Section 60030:Statistical science-related / Catalyst/Resource chemical process / Functional solid state chemistry
Keywords	Principal Investigator 量子化学計算 / ベイズ最適化 / 分子動力学計算 / データベース / マテリアルズインフォマティクス / SAPO / 触媒 / 酸強度 / シリコアルミノリン酸塩 / 計算化学 / 軌道相互作用 / ゼオライト

Establishment of a foundation for polymer material design by integrating data science and molecular simulationPrincipal Investigator
- Principal Investigator
  
  林慶浩
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 60030:Statistical science-related
- Research Institution
  The Institute of Statistical Mathematics
Construction of prediction method for acid strength based on orbital interactions toward zeolitic catalyst designPrincipal Investigator
- Principal Investigator
  
  Hayashi Yoshihiro
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Functional solid state chemistry
  Catalyst/Resource chemical process
- Research Institution
  The Institute of Statistical Mathematics
  Tokyo Institute of Technology

All 2019 2018 2017

All Journal Article Presentation

[Journal Article] Development of a quantum chemical descriptor expressing aromatic/quinoidal character for designing narrow-bandgap π-conjugated polymers2019
- Author(s)
  Hayashi Yoshihiro、Kawauchi Susumu
- Journal Title
  
  Polymer Chemistry
  
  Volume: 10 Issue: 41 Pages: 5584-5593
- DOI
  10.1039/c9py00987f
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] p- and n-Channel photothermoelectric conversion based on ultralong near-infrared wavelengths absorbing polymers2019
- Author(s)
  Tsukasa Hasegawa, Minoru Ashizawa, Yoshihiro Hayashi, Susumu Kawauchi, Hiroyasu Masunaga, Takaaki Hikima, Takaaki Manaka, and Hidetoshi Matsumoto
- Journal Title
  
  ACS Applied Polymer Materials
  
  Volume: 1 Issue: 3 Pages: 542-551
- DOI
  10.1021/acsapm.8b00234
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05830, KAKENHI-PROJECT-17J07292, KAKENHI-PROJECT-17K17720
[Journal Article] Theoretical Investigation of Regioselectivity in the Rh-Catalyzed Coupling Reaction of 3-Phenylthiophene with Styrene2019
- Author(s)
  Hayashi Yoshihiro、Satoh Tetsuya、Miura Masahiro、Kawauchi Susumu
- Journal Title
  
  European Journal of Organic Chemistry
  
  Volume: 2019 Issue: 19 Pages: 2998-3004
- DOI
  10.1002/ejoc.201900110
- NAID
  130007608155
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K19083, KAKENHI-PROJECT-17H06092, KAKENHI-PROJECT-17K17720, KAKENHI-PUBLICLY-18H04267
[Journal Article] Exploration of Unimolecular and Bimolecular Pathways for Nitrile N-Oxide Isomerization to Isocyanate Through Global Reaction Route Mapping Techniques2019
- Author(s)
  Hayashi Yoshihiro、Ishiyama Yuki、Takata Toshikazu、Kawauchi Susumu
- Journal Title
  
  European Journal of Organic Chemistry
  
  Volume: 2019 Issue: 39 Pages: 6646-6654
- DOI
  10.1002/ejoc.201901156
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Improving the Acid and Base Resistance of Polyurethane Using Carbon Nanotubes2019
- Author(s)
  Ata Seisuke、Yamane Shogo、Hayashi Yoshihiro、Kawauchi Susumu、Mizukado Junji、Yamada Takeo、Hata Kenji
- Journal Title
  
  Macromolecular Chemistry and Physics
  
  Volume: 220 Issue: 22 Pages: 1900235-1900235
- DOI
  10.1002/macp.201900235
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Improving thermal durability and mechanical properties of poly(ether ether ketone) with single-walled carbon nanotubes2019
- Author(s)
  Ata Seisuke、Hayashi Yoshihiro、Nguyen Thi Thanh Binh、Tomonoh Shigeki、Kawauchi Susumu、Yamada Takeo、Hata Kenji
- Journal Title
  
  Polymer
  
  Volume: 176 Pages: 60-65
- DOI
  10.1016/j.polymer.2019.05.028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Copper‐Mediated Decarboxylative C-H Arylation of Phenol Derivatives with ortho‐Nitrobenzoic Acids Using Phenanthroline‐Based Bidentate Auxiliary2019
- Author(s)
  Takamatsu Kazutaka、Hayashi Yoshihiro、Kawauchi Susumu、Hirano Koji、Miura Masahiro
- Journal Title
  
  ChemistrySelect
  
  Volume: 4 Issue: 40 Pages: 11833-11838
- DOI
  10.1002/slct.201902860
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06092, KAKENHI-PROJECT-18K19078, KAKENHI-PROJECT-17K17720
[Journal Article] Copper-Catalyzed Regioselective C-H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary2019
- Author(s)
  Takamatsu Kazutaka、Hayashi Yoshihiro、Kawauchi Susumu、Hirano Koji、Miura Masahiro
- Journal Title
  
  ACS Catalysis
  
  Volume: 9 Issue: 6 Pages: 5336-5344
- DOI
  10.1021/acscatal.9b01145
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06092, KAKENHI-PROJECT-18K19078, KAKENHI-PROJECT-17K17720
[Journal Article] Theoretical Significance of Radical Copolymerization2018
- Author(s)
  NISHIKUBO Ryo、HAYASHI Yoshihiro、KAWAUCHI Susumu
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 120-121
- DOI
  10.2477/jccj.2018-0024
- NAID
  130007498184
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Rhodium‐Catalyzed Cascade Synthesis of Benzofuranylmethylidene‐Benzoxasiloles: Elucidating Reaction Mechanism and Efficient Solid‐State Fluorescence2018
- Author(s)
  Tomoya Namba, Yoshihiro Hayashi, Susumu Kawauchi, Yu Shibata, Ken Tanaka
- Journal Title
  
  Chemistry - An Europian Journal
  
  Volume: 印刷中 Issue: 28 Pages: 7161-7171
- DOI
  10.1002/chem.201800381
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720, KAKENHI-PLANNED-26102004, KAKENHI-PROJECT-17J10223
[Journal Article] MD Simulations on Switching Behavior of Bistable Rotaxanes2018
- Author(s)
  HAYASHI Yoshihiro、OHKI Ryuma、HIWAKI Yusuke、KAWAUCHI Susumu
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 17 Issue: 3 Pages: 122-123
- DOI
  10.2477/jccj.2018-0025
- NAID
  130007498258
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] DBU-mediated Highly Efficient CO2-fixation to Propargylamines and Polypropargylamine2018
- Author(s)
  Kim Nam-Kyun、Sogawa Hiromitsu、Yamamoto Koji、Hayashi Yoshihiro、Kawauchi Susumu、Takata Toshikazu
- Journal Title
  
  Chemistry Letters
  
  Volume: 47 Issue: 8 Pages: 1063-1066
- DOI
  10.1246/cl.180477
- NAID
  130007431084
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Cationic Chiral Pd-Catalyzed “Acetylenic” Diels-Alder Reaction: Computational Analysis of Reversal in Enantioselectivity2018
- Author(s)
  Honda Kazuya、Ohkura Shun、Hayashi Yoshihiro、Kawauchi Susumu、Mikami Koichi
- Journal Title
  
  Chemistry - An Asian Journal
  
  Volume: 13 Issue: 19 Pages: 2842-2846
- DOI
  10.1002/asia.201801035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Journal Article] Rhodium(III)-Catalyzed Oxidative Coupling of N-Phenylindole-3-carboxylic Acids with Alkenes and Alkynes via C4H and C2H/C2H Bond Cleavage2018
- Author(s)
  Okada, T.; Sakai, A.; Hinoue, T.; Satoh, T.; Hayashi, Y.; Kawauchi, S.; Cahndrababunaidu, K.; Miura, M.
- Journal Title
  
  J. Org. Chem.
  
  Volume: 83 Issue: 10 Pages: 5639-5649
- DOI
  10.1021/acs.joc.8b00638
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01037, KAKENHI-PROJECT-18K19083, KAKENHI-PROJECT-17K17720, KAKENHI-PROJECT-17H06092, KAKENHI-PUBLICLY-18H04267
[Journal Article] Diphosphination of Arynes with Diphosphines2018
- Author(s)
  Yuto Okugawa, Yoshihiro Hayashi, Susumu Kawauchi, Koji Hirano, Masahiro Miura
- Journal Title
  
  Organic Letters
  
  Volume: 20 Issue: 12 Pages: 3670-3673
- DOI
  10.1021/acs.orglett.8b01470
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K19078, KAKENHI-PROJECT-17K17720, KAKENHI-PROJECT-15H05485, KAKENHI-PROJECT-17H06092
[Journal Article] Iridium‐Catalyzed Aerobic Coupling of Salicylaldehydes with Alkynes: A Remarkable Switch of Oxacyclic Product2018
- Author(s)
  Shintaro Yamane, Tomoaki Hinoue, Yoshinosuke Usuki, Masumi Itazaki, Hiroshi Nakazawa, Yoshihiro Hayashi, Susumu Kawauchi, Masahiro Miura, Tetsuya Satoh
- Journal Title
  
  Chemistry - An Europian Journal
  
  Volume: 印刷中 Issue: 31 Pages: 7852-7855
- DOI
  10.1002/chem.201801245
- NAID
  120006649311
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K17720, KAKENHI-PUBLICLY-16H01037, KAKENHI-PROJECT-18K19083, KAKENHI-PROJECT-17H06092, KAKENHI-PUBLICLY-18H04267
[Journal Article] Development and Assessment of Quinoidal Index for Designing of Low Band Gap Polymers2017
- Author(s)
  大槻恒太, 林慶浩, 川内進
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 16 Issue: 5 Pages: 123-125
- DOI
  10.2477/jccj.2017-0061
- NAID
  130006322247
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] Development of a Quantum Chemical Descriptor Expressing Aromatic/Quinoidal Character for Designing Narrow-Bandgap π-Conjugated Polymers2019
- Author(s)
  Yoshihiro Hayashi, Susumu Kawauchi
- Organizer
  The 16th Pacific Polymer Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] Rh触媒による3-フェニルチオフェンとスチレンのカップリング反応における位置選択性の理論的研究2019
- Author(s)
  林慶浩,佐藤哲也,三浦雅博,川内進
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] 狭バンドギャップπ共役系高分子の設計に適した芳香族・キノイド性を表す記述子の開発とバンドギャップ予測モデルの構築2019
- Author(s)
  林慶浩、川内進
- Organizer
  第42回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] 狭バンドギャップ高分子の設計に適したキノイド性指標の計算化学による開発と評価2019
- Author(s)
  林慶浩、川内進
- Organizer
  第68回高分子学会年次大会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] 芳香族・キノイド性およびドナー・アクセプター性を用いた狭バンドギャップπ共役系高分子予測モデルの構築2019
- Author(s)
  林慶浩、川内進
- Organizer
  日本コンピュータ化学会 2019秋季年会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] 芳香族・キノイド性およびドナー・アクセプター性を考慮した狭バンドギャップ高分子予測モデルの構築2019
- Author(s)
  林慶浩、川内進
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] 芳香族・キノイド性およびドナー・アクセプター性を用いた狭バンドギャップ高分子予測モデルの構築2019
- Author(s)
  林慶浩、川内進
- Organizer
  第68回高分子討論会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] Rh触媒による3-フェニルチオフェンとスチレンのカップリング反応における位置選択性の理論的研究2018
- Author(s)
  林慶浩,佐藤哲也,三浦雅博,川内進
- Organizer
  日本コンピュータ化学会2018秋季年会
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] Theoretical investigation of regioselectivity in the Rh-catalyzed coupling reaction of 3-phenylthiophene with styrene2018
- Author(s)
  Yoshihiro Hayashi, Tetsuya Satoh, Masahiro Miura, and Susumu Kawauchi
- Organizer
  The 4th International Symposium on C-H Activation
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K17720
[Presentation] ロジウム触媒を用いた2-シリルエチニルフェノールからベンゾオキサシロールへの環化異性化の反応機構の計算化学的研究2017
- Author(s)
  林　慶浩、難波知也、川内進、柴田祐、田中健
- Organizer
  日本化学会　第98春季年会
- Data Source
  KAKENHI-PROJECT-17K17720

1. HIRANO Koji

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
2. 松本英俊

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
3. 芦沢実

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
4. 佐藤哲也

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
5. 三浦雅博

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
6. 川内進

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Hayashi Yoshihiro 林 慶浩

Research Projects

Research Products

Co-Researchers

Establishment of a foundation for polymer material design by integrating data science and molecular simulationPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Construction of prediction method for acid strength based on orbital interactions toward zeolitic catalyst designPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Development of a quantum chemical descriptor expressing aromatic/quinoidal character for designing narrow-bandgap π-conjugated polymers2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] p- and n-Channel photothermoelectric conversion based on ultralong near-infrared wavelengths absorbing polymers2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Investigation of Regioselectivity in the Rh-Catalyzed Coupling Reaction of 3-Phenylthiophene with Styrene2019

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Exploration of Unimolecular and Bimolecular Pathways for Nitrile N-Oxide Isomerization to Isocyanate Through Global Reaction Route Mapping Techniques2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Improving the Acid and Base Resistance of Polyurethane Using Carbon Nanotubes2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Improving thermal durability and mechanical properties of poly(ether ether ketone) with single-walled carbon nanotubes2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Copper‐Mediated Decarboxylative C-H Arylation of Phenol Derivatives with ortho‐Nitrobenzoic Acids Using Phenanthroline‐Based Bidentate Auxiliary2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Copper-Catalyzed Regioselective C-H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical Significance of Radical Copolymerization2018

Author(s)

Journal Title

DOI

NAID

ISSN

Language

Data Source

[Journal Article] Rhodium‐Catalyzed Cascade Synthesis of Benzofuranylmethylidene‐Benzoxasiloles: Elucidating Reaction Mechanism and Efficient Solid‐State Fluorescence2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] MD Simulations on Switching Behavior of Bistable Rotaxanes2018

Author(s)

Journal Title

DOI

NAID

ISSN

Language

Data Source

[Journal Article] DBU-mediated Highly Efficient CO2-fixation to Propargylamines and Polypropargylamine2018

Author(s)

Hayashi Yoshihiro 林慶浩

[Presentation] 狭バンドギャップπ共役系高分子の設計に適した芳香族・キノイド性を表す記述子の開発とバンドギャップ予測モデルの構築2019

[Presentation] 狭バンドギャップ高分子の設計に適したキノイド性指標の計算化学による開発と評価2019

[Presentation] 芳香族・キノイド性およびドナー・アクセプター性を用いた狭バンドギャップ高分子予測モデルの構築2019