Kato Koichiro 加藤幸一郎

Researcher Number	30888889
Other IDs
Affiliation (Current)	2025: 九州大学, 工学研究院, 教授
Affiliation (based on the past Project Information) *help	2024 – 2025: 九州大学, 工学研究院, 教授 2022 – 2023: 九州大学, 工学研究院, 准教授
Review Section/Research Field	Principal Investigator Transformative Research Areas, Section (II) / Basic Section 35020:Polymer materials-related Except Principal Investigator Basic Section 32010:Fundamental physical chemistry-related
Keywords	Principal Investigator マテリアルズインフォマティクス / 機械学習 / ファンデルワールスヘテロ構造 / 2次元材料 / ベイズ最適化 / データ科学 / 第一原理計算 / モアレ超格子 / ２次元材料 / パーシステントホモロジー / 粗視化シミュレーション / 高分子電解質膜 / ポリマーインフォマティクス … More Except Principal Investigator … More 光化学反応 / 酵素反応 / 蛍光プローブ / 分子動力学計算 / 量子化学計算 Less

Establishment of polymer informatics incorporating polymer-specific hierarchy and search for new electrolytesPrincipal Investigator
- Principal Investigator
  
  加藤幸一郎
- Project Period (FY)
  2024 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 35020:Polymer materials-related
- Research Institution
  Kyushu University
データ駆動型2.5次元物質モアレ超格子の探索と物性支配因子の抽出Principal Investigator
- Principal Investigator
  
  加藤幸一郎
- Project Period (FY)
  2024 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Kyushu University
高速QM/MM自由エネルギー計算法の開発と新規蛍光プローブの分子設計
- Principal Investigator
  
  八木清
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  University of Tsukuba
Exploring Design Guidelines for Hetero 2.5D Materials by Combining Data Science and First-Principles CalculationsPrincipal Investigator
- Principal Investigator
  
  加藤幸一郎
- Project Period (FY)
  2022 – 2023
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Kyushu University

All 2025 2024 2023 2022

All Journal Article Presentation

[Journal Article] Kinetics and thermodynamics analysis of the polybenzimidazole adsorption onto carbon materials using adsorption isotherm measurements2024
- Author(s)
  Nazmul Islam A. B. M.、Kayo Nana、Motoishi Yuki、Hamano Ryo、Tanaka Naoki、Kato Koichiro、Fujigaya Tsuyohiko
- Journal Title
  
  Polymer Journal
  
  Volume: 56 Issue: 12 Pages: 1153-1163
- DOI
  10.1038/s41428-024-00950-5
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24H01198, KAKENHI-PROJECT-23K26720
[Journal Article] Polymer Wrapping State Changes at Defect Sites of Locally Functionalized Single-Walled Carbon Nanotubes2024
- Author(s)
  Niidome Yoshiaki、Matsumoto Hiromu、Hamano Ryo、Kato Koichiro、Fujigaya Tsuyohiko、Shiraki Tomohiro
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 128 Issue: 12 Pages: 5146-5155
- DOI
  10.1021/acs.jpcc.3c07692
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22KJ2489, KAKENHI-PUBLICLY-22H05465, KAKENHI-PROJECT-23K23178, KAKENHI-PUBLICLY-24H01198, KAKENHI-PROJECT-23K26720
[Journal Article] Unsupervised Machine Learning‐Derived Anion‐Exchange Membrane Polymers Map: A Guideline for Polymers Exploration and Design2024
- Author(s)
  Phua Yin Kan、Terasoba Nana、Tanaka Manabu、Fujigaya Tsuyohiko、Kato Koichiro
- Journal Title
  
  ChemElectroChem
  
  Volume: 11 Issue: 14
- DOI
  10.1002/celc.202400252
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K26720
[Journal Article] Selective adsorption of indole on mesoporous carbon in an aqueous system2024
- Author(s)
  Islam A.B.M. Nazmul、Akamine Mai、Kim Chaerin、Tanaka Naoki、Kato Koichiro、Fujigaya Tsuyohiko
- Journal Title
  
  Carbon Reports
  
  Volume: 3 Issue: 3 Pages: 134-141
- DOI
  10.7209/carbon.030304
- ISSN
  2436-5831
- Year and Date
  2024-09-01
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-24H01198, KAKENHI-PROJECT-23K26720
[Journal Article] Predicting the anion conductivities and alkaline stabilities of anion conducting membrane polymeric materials: development of explainable machine learning models2023
- Author(s)
  Phua Yin Kan、Fujigaya Tsuyohiko、Kato Koichiro
- Journal Title
  
  Science and Technology of Advanced Materials
  
  Volume: 24 Issue: 1 Pages: 2261833-2261833
- DOI
  10.1080/14686996.2023.2261833
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K26720
[Journal Article] Pyridine-mediated B?B bond cleavage of tetrahydroxydiboron to synthesize n-doped SWCNTs with long-term air stability2023
- Author(s)
  Tanaka Naoki、Hamasuna Aoi、Yamaguchi Itsuki、Kato Koichiro、Fujigaya Tsuyohiko
- Journal Title
  
  Scientific Reports
  
  Volume: 13 Issue: 1 Pages: 1-7
- DOI
  10.1038/s41598-023-48847-2
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K13634, KAKENHI-PUBLICLY-22H05465, KAKENHI-PROJECT-23K26720
[Presentation] 第一原理計算と多目的最適化によるモアレ超格子探索2025
- Author(s)
  加藤幸一郎
- Organizer
  日本物理学会　2025年春季大会
- Invited
- Data Source
  KAKENHI-PUBLICLY-24H01198
[Presentation] 電解質膜を舞台にした機能性高分子インフォマティクスの構築2024
- Author(s)
  加藤幸一郎
- Organizer
  第31回燃料電池シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] 分子記述子を用いた構造物性予測用ニューラルネットワークへの説明可能AIの適用2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Efficient Search for Stacking Patterns in van der Waals Heterostructures Using Bayesian Optimization2024
- Author(s)
  Choi Beomgyu, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  2024 MRS Fall Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-24H01198
[Presentation] Developing Molecular Descriptor of High Chemical Interpretability and Actual Demonstration with Anion Exchange Membrane2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  第73回高分子学会年次大会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] 粗視化シミュレーションとデータ科学手法の融合による高次構造解析と特徴量生成2024
- Author(s)
  加藤幸一郎
- Organizer
  24-1高分子計算機科学研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] 機能性高分子材料開発の加速に向けた説明可能 AI の活用2024
- Author(s)
  PHUA Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  第 38 回人工知能学会全国大会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Combined Materials Map and Supervised Machine Learning Towards Efficient and Accelerated Anion Exchange Membrane Polymer Exploration2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  2024 MRS Fall Meeting & Exhibit
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] 機能性高分子の物性予測に適用可能な説明可能ニューラルネットワークの構築2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] アニオン交換膜の材料マップの作成及びマップを活用した材料探索2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  第73回高分子討論会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] アニオン交換膜の材料マップ及び教師あり機械学習の統合運用による材料探索の効率化2024
- Author(s)
  Phua Yin Kan, 藤ヶ谷剛彦, 加藤幸一郎
- Organizer
  第85回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] 機能性ポリマーインフォマティクスに向けた記述子開発2023
- Author(s)
  加藤幸一郎・ポアインカン・東悠貴人・藤ヶ谷剛彦
- Organizer
  第72回高分子討論会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] データ科学と第一原理計算の融合によるヘテロ積層型２.５次元材料のデザイン指針探索2023
- Author(s)
  加藤幸一郎
- Organizer
  学術変革領域研究(A)「２.５次元物質科学」第１回公開シンポジウム
- Invited
- Data Source
  KAKENHI-PUBLICLY-22H05465
[Presentation] データ科学手法によるプロトン交換膜における相分離構造の特徴抽出2023
- Author(s)
  東悠貴人、藤ヶ谷剛彦、加藤幸一郎
- Organizer
  第60回化学関連支部合同九州大会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] ベイズ最適化によるファンデルワールス積層材料の効率的な積層パターン探索2023
- Author(s)
  チェボムギュ、藤ヶ谷剛彦、加藤幸一郎
- Organizer
  第60回化学関連支部合同九州大会
- Data Source
  KAKENHI-PUBLICLY-22H05465
[Presentation] 燃料電池用電解質膜を舞台にした機能性ポリマーインフォマティクスの開拓2023
- Author(s)
  加藤幸一郎
- Organizer
  23-1水素・燃料電池材料研究会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Nuclear Magnetic Resonance Chemical Shift as Highly Explainable Chemical Structure Fingerprints for Anion Exchange Membrane Polymers2023
- Author(s)
  Yin Kan Phua, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  244th ECS Meeting
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Unsupervised Machine Learning Method for Virtual Screening of Anion Exchange Membrane (AEM) Polymers2023
- Author(s)
  ポアインカン・藤ヶ谷剛彦・加藤幸一郎
- Organizer
  第34回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Distribution Analysis of Chemical Space for Known Anion Exchange Membrane Polymers2023
- Author(s)
  Yin Kan Phua, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  ACS Fall 2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Efficient Search for Stacking Patterns in van der Waals Heterostructures Using Bayesian Optimization2023
- Author(s)
  Koichiro Kato
- Organizer
  The 66th Fullerenes-Nanotubes-Graphene General Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H05465
[Presentation] Toward Functional Polymer Informatics via Coarse-Grained Simulation and Data Science2023
- Author(s)
  Koichiro Kato
- Organizer
  The 13th SPSJ International Polymer Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Topological data analysis for feature extraction of phase-separated structures in proton exchange membranes2023
- Author(s)
  Yukito Higashi, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  MRM2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Efficient stacking pattern search for van der Waals hetero structures via Bayesian optimization2023
- Author(s)
  Choi Beomgyu, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  MRM2023
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-22H05465
[Presentation] Explainable Machine Learning Protocol for Predicting Ionic Conductivity of Anion Exchange Membranes used in Fuel Cells2023
- Author(s)
  Yin Kan Phua, Tsuyohiko Fujigaya, Koichiro Kato
- Organizer
  The 13th SPSJ International Polymer Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26720
[Presentation] Search for optimal hetero bilayer structure in 2.5D materials using first-principles calculations and Bayesian optimization2022
- Author(s)
  チェ　ボムギュ、藤ヶ谷　剛彦、加藤　幸一郎
- Organizer
  第64回フラーレン・ナノチューブ・グラフェン総合シンポジウム
- Data Source
  KAKENHI-PUBLICLY-22H05465

1. 藤ヶ谷剛彦 (30444863)

# of Collaborated Projects: 1 results

# of Collaborated Products: 16 results
2. 八木清 (30401128)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 花岡健二郎 (70451854)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 田中直樹

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Kato Koichiro 加藤 幸一郎

Research Projects

Research Products

Co-Researchers

Establishment of polymer informatics incorporating polymer-specific hierarchy and search for new electrolytesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

データ駆動型2.5次元物質モアレ超格子の探索と物性支配因子の抽出Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

高速QM/MM自由エネルギー計算法の開発と新規蛍光プローブの分子設計

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Exploring Design Guidelines for Hetero 2.5D Materials by Combining Data Science and First-Principles CalculationsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Kinetics and thermodynamics analysis of the polybenzimidazole adsorption onto carbon materials using adsorption isotherm measurements2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Polymer Wrapping State Changes at Defect Sites of Locally Functionalized Single-Walled Carbon Nanotubes2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Unsupervised Machine Learning‐Derived Anion‐Exchange Membrane Polymers Map: A Guideline for Polymers Exploration and Design2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Selective adsorption of indole on mesoporous carbon in an aqueous system2024

Author(s)

Journal Title

DOI

ISSN

Year and Date

Language

Data Source

[Journal Article] Predicting the anion conductivities and alkaline stabilities of anion conducting membrane polymeric materials: development of explainable machine learning models2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Pyridine-mediated B?B bond cleavage of tetrahydroxydiboron to synthesize n-doped SWCNTs with long-term air stability2023

Author(s)

Journal Title

DOI

Data Source

[Presentation] 第一原理計算と多目的最適化による モアレ超格子探索2025

Author(s)

Organizer

Data Source

[Presentation] 電解質膜を舞台にした 機能性高分子インフォマティクスの構築2024

Author(s)

Organizer

Data Source

[Presentation] 分子記述子を用いた構造物性予測用ニューラルネットワークへの説明可能AIの適用2024

Author(s)

Organizer

Data Source

[Presentation] Efficient Search for Stacking Patterns in van der Waals Heterostructures Using Bayesian Optimization2024

Author(s)

Organizer

Data Source

[Presentation] Developing Molecular Descriptor of High Chemical Interpretability and Actual Demonstration with Anion Exchange Membrane2024

Author(s)

Organizer

Kato Koichiro 加藤幸一郎

[Presentation] 第一原理計算と多目的最適化によるモアレ超格子探索2025

[Presentation] 電解質膜を舞台にした機能性高分子インフォマティクスの構築2024