SAITO Masaaki 齋藤雅明

… Alternative Names

Saitow Masaaki 齋藤雅明

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Researcher Number	40832556
Other IDs
Affiliation (Current)	2025: 名古屋大学, 物質科学国際研究センター, 助教
Affiliation (based on the past Project Information) *help	2023: 名古屋大学, 物質科学国際研究センター, 助教 2020 – 2022: 名古屋大学, 物質科学国際研究センター(WPI), 助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related
Keywords	Principal Investigator 量子化学 / 多参照摂動理論 / 電子相関 / 内核X線分光法 / 光合成 / 酸素発生複合体 / 光化学反応 / 電子状態 / 大規模複雑系 / 生体分子 … More / 局所相関法 / 静的電子相関 / 動的電子相関 / メスバウアー効果 / 溶媒和効果 / 分子分光法 / 結合クラスター理論 / 波動関数理論 Less

Understanding the enzymatic mechanisms of the oxygen-evolving complex based on theoretical X-ray spectroscopyPrincipal Investigator
- Principal Investigator
  
  齋藤雅明
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Nagoya University
Development of efficient and accurate electronic structure theory and its application to enzymatic reactions mediated by metalloproteinPrincipal Investigator
- Principal Investigator
  
  Saitow Masaaki
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Nagoya University

All 2024 2023 2022 2021 2020

All Journal Article Presentation

[Journal Article] Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals2024
- Author(s)
  Hayashi Manami、Saitow Masaaki、Uemura Kazuma、Yanai Takeshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 160 Issue: 19 Pages: 1-16
- DOI
  10.1063/5.0204419
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05035
[Journal Article] Local <i>N</i>-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals2023
- Author(s)
  Uemura Kazuma、Saitow Masaaki、Ishimaru Takaki、Yanai Takeshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 158 Issue: 15 Pages: 154110-154110
- DOI
  10.1063/5.0143793
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05035, KAKENHI-PROJECT-21K18931, KAKENHI-PROJECT-21H01881
[Journal Article] Unraveling the Spin-State Energetics of FeN Complexes with Ab Initio Methods2023
- Author(s)
  Phung Quan Manh、Nam Ho Ngoc、Saitow Masaaki
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 127 Issue: 36 Pages: 7544-7556
- DOI
  10.1021/acs.jpca.3c04254
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05035
[Journal Article] A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals2022
- Author(s)
  Saitow Masaaki、Uemura Kazuma、Yanai Takeshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 8 Pages: 084101-084101
- DOI
  10.1063/5.0094777
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05035, KAKENHI-PROJECT-21H01881, KAKENHI-PROJECT-21K18931
[Journal Article] Thermally Stable Array of Discrete C<sub>60</sub>s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure2022
- Author(s)
  Kawano Shin-ichiro、Nakaya Masato、Saitow Masaaki、Ishiguro Atsuki、Yanai Takeshi、Onoe Jun、Tanaka Kentaro
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 144 Issue: 15 Pages: 6749-6758
- DOI
  10.1021/jacs.1c13610
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05493, KAKENHI-PROJECT-20K15228, KAKENHI-PUBLICLY-20H05216, KAKENHI-PROJECT-19H00902, KAKENHI-PROJECT-20H02463, KAKENHI-PROJECT-21H01881, KAKENHI-PROJECT-21K18931, KAKENHI-PROJECT-23K23362
[Journal Article] Multireference Perturbation Theory Combined with PCM and RISM Solvation Models: A Benchmark Study for Chemical Energetics2021
- Author(s)
  Saitow Masaaki、Hori Keisuke、Yoshikawa Ayaka、Shimizu Ryosuke Y.、Yokogawa Daisuke、Yanai Takeshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 125 Issue: 37 Pages: 8324-8336
- DOI
  10.1021/acs.jpca.1c05944
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15228, KAKENHI-PROJECT-21H01881
[Journal Article] 57Fe M?ssbauer parameters from domain based local pair-natural orbital coupled-cluster theory2020
- Author(s)
  Datta Dipayan、Saitow Masaaki、Sandh?fer Barbara、Neese Frank
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 20 Pages: 204101-204101
- DOI
  10.1063/5.0022215
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15228
[Presentation] Reduced-Scaling Multireference Perturbation Theories with Orthonormal Local Virtual Orbitals: An Extension to the Excited States2024
- Author(s)
  Masaaki Saitow
- Organizer
  International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP 2024)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] Multireference Wave Function Theories based on Local Pair-Natural Orbitals2023
- Author(s)
  Masaaki Saitow
- Organizer
  APATCC-2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] Reduced-Scaling Multireference Perturbation Theories using Orthonormal Local Virtual Orbitals2023
- Author(s)
  Masaaki Saitow
- Organizer
  ICQC2023 Satellite at Znojmo
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] 大規模複雑系に適用可能な高精度励起状態理論の開発と応用: PNO-QD-NEVPT2法2023
- Author(s)
  ○林まなみ，齋藤雅明，植村和真，柳井毅
- Organizer
  第17回分子科学討論会2023
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] 局在化仮想分子軌道表現に基づく低スケーリングな多参照摂動理論: LVMO-PNO-NEVPT2法2023
- Author(s)
  ○植村和真，齋藤雅明，石丸理貴，柳井毅
- Organizer
  第17回分子科学討論会2023
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] Multireference Wave Function Theories based on Local Pair-Natural Orbitals2022
- Author(s)
  Masaaki Saitow
- Organizer
  ICT-HPCC22
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K05035
[Presentation] 局在化仮想分子軌道表現に基づく低スケーリングな多参照摂動理論: LVMO-PNO-CASPT2法2022
- Author(s)
  植村和真、柳井毅、齋藤雅明
- Organizer
  日本化学会　第102春季年会
- Data Source
  KAKENHI-PROJECT-20K15228
[Presentation] 溶媒和計算モデルを組み込んだ多参照摂動理論の開発2021
- Author(s)
  堀敬亮，齋藤雅明，吉川綾香，清水亮介，横川大介，柳井毅
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K15228
[Presentation] 片方データ通信に基づく並列アルゴリズムを用いた多参照摂動計算の高速化2021
- Author(s)
  石丸理貴、齋藤雅明、柳井毅
- Organizer
  日本化学会　第101春季年会
- Data Source
  KAKENHI-PROJECT-20K15228
[Presentation] 局所恒等分解法に基づく高速な自己無撞着法の開発2020
- Author(s)
  山田彩乃、齋藤雅明、柳井毅
- Organizer
  分子科学会オンライン討論会
- Data Source
  KAKENHI-PROJECT-20K15228

1. KAWANO Shin-ichiro

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

SAITO Masaaki 齋藤 雅明

Saitow Masaaki 齋藤 雅明

Research Projects

Research Products

Co-Researchers

Understanding the enzymatic mechanisms of the oxygen-evolving complex based on theoretical X-ray spectroscopyPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of efficient and accurate electronic structure theory and its application to enzymatic reactions mediated by metalloproteinPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Local <i>N</i>-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Unraveling the Spin-State Energetics of FeN Complexes with Ab Initio Methods2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Thermally Stable Array of Discrete C<sub>60</sub>s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Multireference Perturbation Theory Combined with PCM and RISM Solvation Models: A Benchmark Study for Chemical Energetics2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 57Fe M?ssbauer parameters from domain based local pair-natural orbital coupled-cluster theory2020

Author(s)

Journal Title

DOI

Data Source

[Presentation] Reduced-Scaling Multireference Perturbation Theories with Orthonormal Local Virtual Orbitals: An Extension to the Excited States2024

Author(s)

Organizer

Data Source

[Presentation] Multireference Wave Function Theories based on Local Pair-Natural Orbitals2023

Author(s)

Organizer

Data Source

[Presentation] Reduced-Scaling Multireference Perturbation Theories using Orthonormal Local Virtual Orbitals2023

Author(s)

Organizer

Data Source

[Presentation] 大規模複雑系に適用可能な高精度励起状態理論の開発と応用: PNO-QD-NEVPT2法2023

Author(s)

Organizer

Data Source

[Presentation] 局在化仮想分子軌道表現に基づく低スケーリングな多参照摂動理論: LVMO-PNO-NEVPT2法2023

Author(s)

Organizer

Data Source

[Presentation] Multireference Wave Function Theories based on Local Pair-Natural Orbitals2022

Author(s)

Organizer

Data Source

[Presentation] 局在化仮想分子軌道表現に基づく低スケーリングな多参照摂動理論: LVMO-PNO-CASPT2法2022

Author(s)

Organizer

Data Source

SAITO Masaaki 齋藤雅明

Saitow Masaaki 齋藤雅明