Seino Junji 清野淳司

… Alternative Names

清野淳司セイノジュンジ

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Researcher Number	60580371
Other IDs
Affiliation (Current)	2025: 早稲田大学, 理工学術院, 准教授(任期付)
Affiliation (based on the past Project Information) *help	2021 – 2023: 早稲田大学, 理工学術院, 准教授(任期付) 2011: 早稲田大学, 理工学術院, 助手
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry
Keywords	Principal Investigator クラスタリング / モデル適用領域 / 軌道非依存密度汎関数理論 / 解釈可能な人工知能技術 / シンボリック回帰 / 精度保証 / オンライン機械学習 / 密度汎関数理論 / 高精度化 / 一般化非制限HF法 … More / 局所ユニタリー変換法 / 2成分相対論 / 大規模分子系 / 相対論的量子化学 Less

Development of online machine-learned orbital-free density functional theory with accuracy guaranteesPrincipal Investigator
- Principal Investigator
  
  Seino Junji
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Waseda University
電子情報のみを記述できる大規模・高精度・汎用的相対論的量子化学理論の開発Principal Investigator
- Principal Investigator
  
  清野淳司
- Project Period (FY)
  2011
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Waseda University

All 2024 2023 2022 2021 2011

All Journal Article Presentation

[Journal Article] Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of <scp>DFT</scp> functionals2024
- Author(s)
  Nakajima Yuya、Ohmura Takuto、Seino Junji
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: - Issue: 21 Pages: 1870-1879
- DOI
  10.1002/jcc.27375
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04998
[Journal Article] Automatic Molecular Identification System Based on Spectral Information and Quantum Chemical Calculation2023
- Author(s)
  KUMAGAI Takumi、NAKAJIMA Yuya、SEINO Junji
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 22 Issue: 2 Pages: 12-14
- DOI
  10.2477/jccj.2023-0029
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04998
[Journal Article] Validation of Extrapolation in Symbolic Regression andIts Application to Perovskite Catalysts2023
- Author(s)
  ISODA Takuya、TAKAHASHI Shiori、NAKANO Masahiko、NAKAJIMA Yuya、SEINO Junji
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 22 Issue: 2 Pages: 37-40
- DOI
  10.2477/jccj.2023-0028
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04998
[Journal Article] Divide-and-Conquer Linear-Scaling Quantum Chemical Computations2023
- Author(s)
  H. Nakai, M. Kobayashi, T. Yoshikawa, J. Seino, Y. Ikabata, Y. Nishimura
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 127 Issue: 3 Pages: 589-618
- DOI
  10.1021/acs.jpca.2c06965
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04998, KAKENHI-PROJECT-21K05002, KAKENHI-PUBLICLY-21H05544, KAKENHI-PROJECT-18H05264, KAKENHI-PROJECT-20H04241
[Journal Article] Database-assisted local unitary transformation method for two-electron integrals in two-component relativistic calculations2021
- Author(s)
  Takashima Chinami、Seino Junji、Nakai Hiromi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 777 Pages: 138691-138691
- DOI
  10.1016/j.cplett.2021.138691
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H05264, KAKENHI-PROJECT-21K04998
[Presentation] 機械学習による周辺環境を考慮した原子の分類とその解析2023
- Author(s)
  大村拓登、中嶋裕也、清野淳司
- Organizer
  日本化学会第103回春季年会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] Atomic clustering based on molecular properties considering surrounding environments and its application to accuracy verification2023
- Author(s)
  Yuya Nakajima, Takuto Ohmura, Junji Seino
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry (TACC)
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] ケム・インフォマティクスに基づく材料開発・化学反応速度の自動解析2023
- Author(s)
  清野淳司
- Organizer
  反応駆動学公開シンポジウム「原子・分子ダイナミクスと反応駆動」
- Invited
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 周辺環境を考慮した化学的性質に基づく原子のクラスタリングと精度検証への応用2023
- Author(s)
  中嶋裕也、大村拓登、清野淳司
- Organizer
  第25回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 複数のスペクトル情報と量子化学計算に基づく化合物の自動同定システムの開発2023
- Author(s)
  熊谷拓海、中嶋裕也、清野淳司
- Organizer
  第25回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 新規材料探索と速度論モデル構築に対するシンボリック回帰の応用研究2023
- Author(s)
  磯田拓哉、高橋栞、中野匡彦、中嶋裕也、清野淳司
- Organizer
  化学工学会第54回秋季大会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] ケム・インフォマティクスの実験・計算・理論化学への展開2023
- Author(s)
  清野淳司
- Organizer
  セミナー「化学産業を改革する最新DX（AI・IoT）技術」～製造，開発，研究，それぞれの工程におけるDX取り組み事例～
- Invited
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] Applicability domain for machine-learned electron correlation model2023
- Author(s)
  Ryo Fujisawa, Mikito Fujinami, Junji Seino, Yasuhiro Ikabata, Hiromi Nakai
- Organizer
  Asia-Pacific Association of Theoretical and Computational Chemists (APCTCC-10)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] Construction of Orbital-Free DFT Scheme and Its Evaluation by ML2023
- Author(s)
  Junji Seino
- Organizer
  The International Symposium on Machine Learning in Quantum Chemistry (SMLQC)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 機械学習・量子化学計算・各種スペクトルを利用した化合物自動同定システムの開発2023
- Author(s)
  熊谷拓海、中嶋裕也、清野淳司
- Organizer
  第13回CSJ化学フェスタ
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 量子化学計算と各種スペクトル情報を用いた化合物の自動同定手法の開発2023
- Author(s)
  熊谷拓海、中嶋裕也、清野淳司
- Organizer
  日本コンピュータ化学会2023春季年会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 量子化学計算と人工知能技術の融合2023
- Author(s)
  清野淳司
- Organizer
  スーパーコンピュータワークショップ2022「複雑電子状態の理論・計算科学」
- Invited
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] シンボリック回帰の化学の諸問題への適用：外挿性の検証と反応速度論への応用2023
- Author(s)
  磯田拓哉、高橋栞、中野匡彦、中嶋裕也、清野淳司
- Organizer
  日本コンピュータ化学会2023春季年会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] A feasibility study of symbolic regression algorithms for chemical laws2023
- Author(s)
  Takuya Isoda, Masahiko Nakano, Yuya Nakajima, Junji Seino
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry (TACC)
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 複数のスペクトル情報と量子化学計算を利用した機械学習による部分構造予測2023
- Author(s)
  熊谷拓海、中嶋裕也、清野淳司
- Organizer
  第46回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] シンボリック回帰を用いた化学における数理モデルの自動構築2022
- Author(s)
  磯田拓哉、中野匡彦、清野淳司
- Organizer
  日本化学会第102春季年会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 機械学習型電子相関モデルの開殻系への拡張2022
- Author(s)
  藤澤遼、藤波美起登、清野淳司、中井浩巳
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] ケム・インフォマティクスによる理論化学の DX2022
- Author(s)
  清野淳司
- Organizer
  第24回理論化学討論会
- Invited
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] シンボリック回帰に基づいた化学における明示的な初等関数/微分方程式の自動導出2022
- Author(s)
  磯田拓哉、中野匡彦、清野淳司
- Organizer
  第12回CSJ化学フェスタ2022
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] シンボリック回帰による初等関数/微分方程式型の化学法則の自動探索2022
- Author(s)
  磯田拓哉、中野匡彦、清野淳司
- Organizer
  第45回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] シンボリック回帰に基づいた化学における数理モデルの自動構築2022
- Author(s)
  磯田拓哉、中野匡彦、清野淳司
- Organizer
  日本コンピュータ化学会2022春季年会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] k最近傍法とアンサンブル学習を用いた機械学習型電子相関モデルの適用領域判定手法2021
- Author(s)
  藤澤遼、五十幡康弘、藤波美起登、清野淳司、中井浩巳
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] AI-Assisted Orbital-Free Density Functional Theory Calculation2021
- Author(s)
  J. Seino, M. Fujinami, Y. Ikabata, H. Nakai
- Organizer
  The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem2021)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04998
[Presentation] 大規模・高精度相対論的量子化学理論の開発(2):2電子相互作用に対する局所的ユニタリー変換2011
- Author(s)
  清野淳司
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山大学創立五十周年記念館(岡山)
- Year and Date
  2011-05-14
- Data Source
  KAKENHI-PROJECT-23750024
[Presentation] Two-component relativistic method for large molecular systems2011
- Author(s)
  Junji Seino
- Organizer
  The World Association of Theoretical and Computational Chemists (WATOC 2011)
- Place of Presentation
  Santiago (Spain)
- Year and Date
  2011-07-18
- Data Source
  KAKENHI-PROJECT-23750024
[Presentation] Local unitary transformation in two-component relativistic scheme for large-scale molecular systems2011
- Author(s)
  Junji Seino
- Organizer
  The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
- Place of Presentation
  Waseda university (Japan)
- Year and Date
  2011-09-03
- Data Source
  KAKENHI-PROJECT-23750024

1. 中井浩巳

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Seino Junji 清野 淳司

清野 淳司 セイノ ジュンジ

Research Projects

Research Products

Co-Researchers

Development of online machine-learned orbital-free density functional theory with accuracy guaranteesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

電子情報のみを記述できる大規模・高精度・汎用的相対論的量子化学理論の開発Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Using atomic clustering based on structural and electronic descriptors that consider surrounding environment to evaluate local properties of <scp>DFT</scp> functionals2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Automatic Molecular Identification System Based on Spectral Information and Quantum Chemical Calculation2023

Author(s)

Journal Title

DOI

ISSN

Language

Data Source

[Journal Article] Validation of Extrapolation in Symbolic Regression andIts Application to Perovskite Catalysts2023

Author(s)

Journal Title

DOI

ISSN

Language

Data Source

[Journal Article] Divide-and-Conquer Linear-Scaling Quantum Chemical Computations2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Database-assisted local unitary transformation method for two-electron integrals in two-component relativistic calculations2021

Author(s)

Journal Title

DOI

Data Source

[Presentation] 機械学習による周辺環境を考慮した原子の分類とその解析2023

Author(s)

Organizer

Data Source

[Presentation] Atomic clustering based on molecular properties considering surrounding environments and its application to accuracy verification2023

Author(s)

Organizer

Data Source

[Presentation] ケム・インフォマティクスに基づく材料開発・化学反応速度の自動解析2023

Author(s)

Organizer

Data Source

[Presentation] 周辺環境を考慮した化学的性質に基づく原子のクラスタリングと精度検証への応用2023

Author(s)

Organizer

Data Source

[Presentation] 複数のスペクトル情報と量子化学計算に基づく化合物の自動同定システムの開発2023

Author(s)

Organizer

Data Source

[Presentation] 新規材料探索と速度論モデル構築に対するシンボリック回帰の応用研究2023

Author(s)

Organizer

Data Source

[Presentation] ケム・インフォマティクスの実験・計算・理論化学への展開2023

Author(s)

Organizer

Data Source

[Presentation] Applicability domain for machine-learned electron correlation model2023

Author(s)

Organizer

Data Source

[Presentation] Construction of Orbital-Free DFT Scheme and Its Evaluation by ML2023

Author(s)

Seino Junji 清野淳司

清野淳司セイノジュンジ