Saitow Masaaki

サイトウマサアキ | Saitow Masaaki

Research field (1)： Basic physical chemistry

Research keywords (3)： Biomolecules , Quantum Chemistry , Electronic Structure Theory

Research theme for competitive and other funds (3)：

2022 - 2025 Understanding the enzymatic mechanisms of the oxygen-evolving complex based on theoretical X-ray spectroscopy
2020 - 2022 Development of efficient and accurate electronic structure theory and its application to enzymatic reactions mediated by metalloprotein
2013 - 2016 Theory and its applications based on density matrix renormalization group for multiple-electronic-state chemical processes

Papers (28)：

Manami Hayashi, Masaaki Saitow, Kazuma Uemura, Takeshi Yanai. Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals. The Journal of Chemical Physics. 2024. 160. 19
Quan Manh Phung, Ho Ngoc Nam, Masaaki Saitow. Unraveling the Spin-State Energetics of FeN₄ Complexes with Ab Initio Methods. The Journal of Physical Chemistry A. 2023. 127. 36. 7544-7556
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai. Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals. The Journal of Chemical Physics. 2023. 158. 15
Masaaki Saitow, Kazuma Uemura, Takeshi Yanai. A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals. The Journal of Chemical Physics. 2022. 157. 8
Shin-ichiro Kawano, Masato Nakaya, Masaaki Saitow, Atsuki Ishiguro, Takeshi Yanai, Jun Onoe, Kentaro Tanaka. Thermally Stable Array of Discrete C₆₀s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure. Journal of the American Chemical Society. 2022. 144. 15. 6749-6758

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MISC (1)：

小副川健, 齋藤雅明, 望月祐志. 第二量子化演算子の代数的扱いとその実装 (第20回日本数式処理学会大会報告). 数式処理. 2012. 18. 2. 33-36

Lectures and oral presentations (7)：

TBA
(APATCC-11)
An Accurate, Reduced-Scaling Wave Function Theory for Excited States
(8-th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry, 2024)
A reduced-scaling wave function theory for excited states
(International Workshop on Massively Parallel Programming for Quantum Chemistry and Physics (MPQCP 2024) 2024)
Reduced-Scaling Multireference Perturbation Theories using Orthonor- mal Localized Virtual Orbitals
(Satellite Meeting on Strong Correlation in Molecules (ICQC 2023) 2023)
The PNO-based Reduce-scaling MRPT2 Theories based on Orthonormal Local Virtuals
(Asia-Pacific Association of Theoretical & Computational Chemists 2023)

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Works (2)：

Work history (6)：

2023/06 - 現在 Nagoya University Research Center for Materials Science Assistant Professor (tenured)
2018/06 - 2023/05 Nagoya University Research Centre for Materials Science Assistant Professor (tenure track)
2018/04 - 2018/05 Nagoya University Postdoc
2018/01 - 2018/03 Institute for Molecular Science Specially Appointed Assistant Professor
2017/04 - 2017/12 Max-Planck Institute for Chemical Energy Conversion Department of Molecular Theory and Spectroscopy Staff Scientist

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Awards (3)：

2018/10 - Japan Society for Molecular Science Best Presentation Prize Development of Local PNO-CC Theory
2018/06 - Molecular Physics, Taylor & Francis Runner up winner of the Molecular Physics Prize for 2017 Influence of the choice of projection manifolds in the CASPT2 implementation
2013/10 - Japan Society for Molecular Science Best poster prize 2013 Development of DMRG-MRCI Theory

Association Membership(s) (1)：

Japan Society for Molecular Science

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