Research field (5)：
Software
, Bio-, chemical, and soft-matter physics
, Biophysics
, High-performance computing
, Inorganic and coordination chemistry
Research keywords (5)：
computer chemistry
, quantum chemistry
, protein
, HPC
, parallel programing
Research theme for competitive and other funds (7)：
2017 - 2020 Expansion of Protein Electronic Structure DB System
2015 - 2018 Development of the third generation density functional calculation method and study of Born-Oppenheimer molecular dynamics method on protein
2015 - 2017 Construction of Electronic Structure Database of Proteins
2013 - 2015 Study of Auto Quantum Chemical Calculation Method and Electron Structure Database for Proteins
2005 - タンパク質のための量子化学計算
ニトロシル配位子を有する金属錯体の合成・物性
Synthesis and Properties of Complexes with Nitrosyl Ligand
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Papers (16)：
Toshiyuki Hirano, Fumitoshi Sato. Interaction energy analysis based on canonical Kohn-Sham molecular orbitals calculation of protein. AIP Conference Proceedings. 2021. 2343
Toshiyuki Hirano, Fumitoshi Sato. Recent progress of protein canonical molecular orbital calculation by the third generation density functional method. AIP Conference Proceedings. 2019. 2186
