日本語
Hiroshima City University 
Graduate School of Information Sciences 
Dept. of Biomedical Information Sciences 

Assistant Professor 
Saito Toru 

Tel.082-830-1617  
 

Career
Osaka University  Graduate School of Science, Department of Chemistry  JSPS Research Fellowship for Young Scientists (DC1)  2009/04-2012/03 
Max-Planck-Institut für Kohlenforschung  Theoretische Chemie  JSPS Postdoctoral Fellow for Research Abroad  2012/04-2014/01 
Osaka University  3rd Division Institute for Academic Initiatives  Specially appointed assistant professor  2014/02-2016/03 
Osaka University  Graduate School of Science, Department of Chemistry  Visiting researcher  2014/05-2016/03 
Hiroshima City University  Graduate School of Information Sciences, Department of Biomedical Information Sciences  Assistant professor  2016/04-Present 

Academic background
Osaka University  School of Science  Department of Chemistry  2007/03  Graduated 
Osaka University  Graduate School of Science  Department of Chemistry  Doctor prophase  2009/03  Completed 
Osaka University  Graduate School of Science  Department of Chemistry  Doctor later  2012/03  Completed 

Research Areas
Computational Chemistry 
Bioinorganic chemistry 
バイオ情報学 

Research keywords
Metalloproteins 
Oxidation reactions 
Strongly correlated electron system 
Semiempirical molecular orbital theory 
QM/MM MD simulation 

Research Funds
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  分子シミュレーションによる生体活性サイトの構造・機能相関の解明とデザイン  2017/04/01-2019/03/31  Assignment 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  金属酵素の反応活性と動的構造変化の理論的研究  2016/04/01-2019/03/31  Representative 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  ビラジカル遷移状態計算法の深化と実在分子における反応機構の解明  2015/07/10-2018/03/31  Assignment 
Grant-in-Aid from Ministry of Education, Science, Sports, and Culture  局在スピンを持つ金属酵素活性中心とその模倣錯体の反応機構に関する理論的研究  2009/04/01-2012/03/31  Representative 
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Bibliography
エネルギー科学における多階層連結コンピューティング (第4章、分担執筆)  財団法人 国際高等研究所  2011/03/25  978-4-906671-85-4 
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Papers
Research paper (scientific journal)  Joint  A Bis(μ-oxido)dinickel(III) Complex with a Triplet Ground State  Y. Morimoto*, Y. Takagi, T. Saito, T. Ohta, T. Ogura, N. Tohnai, M. Nakano, S. Itoh*  Angewandte Chemie International Edition  2018 
Research paper (scientific journal)  Joint  Transition State Search Using rPM6: Iron- and Manganese-catalyzed Oxidation Reactions as a Test Case  T. Saito*, Y. Takano  Bulletin of the Chemical Society of Japan  2018 
Research paper (scientific journal)  Joint  rPM6 Parameters for Phosphorous and Sulfur Containing Open-Shell Molecules  T. Saito*, Y. Takano  Molecular Physics  116, 602-610  2018  10.1080/00268976.2017.1377849 
Research paper (scientific journal)  Joint  rPM6 Parameters for Manganese and Application to Transition State Search for Oxidation Reactions of Cyclohexene by Manganese(IV)-Oxo Species  T. Saito*, Y. Takano  Chemistry Letters  46/ 10, 1567-1569  2017  10.1246/cl.170687 
Research paper (scientific journal)  Joint  Full-valence Density Matrix Renormalization Group Calculations on meta-Benzyne, Based on Unrestricted Natural Orbitals Revisit of Seamless Continuation from Broken-symmetry to Symmetry-adapted Models for Diradicals  T. Kawakami*, T. Saito, S. Sharma, S. Yamanaka, S. Yamada, T. Nakajima, M. Okumura, K. Yamaguchi*  Molecular Physics  115/ 17-18, 2267-2284  2017  10.1080/00268976.2017.1337251 
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Research presentations
Oral presentation(general)  Aliphatic C–H Bond Activation by a Bis(µ-oxido)dinickel(III) Complex  The 98th CSJ Annual Meeting  2018/03/23 
Oral presentation(general)  Reaction Mechanism of Aromatic Oxidation Reactions by a Bis(µ-oxido)dinickel(III) Complex  The 98th CSJ Annual Meeting  2018/03/23 
Poster presentation  酵素反応を用いるヒスチジン計測法の開発  日本化学会 第98春季年会  2018/03/21 
Oral presentation(general)  DMRG-CASCI 法による三角格子スピンフラストレーション系 の磁気的相互作用の解析  日本化学会 第98春季年会  2018/03/20 
Oral presentation(general)  Applications of the semi-empirical rPM6 method to chemical reactions catalyzed by transition metal containing complexes.  The 98th CSJ Annual Meeting  2018/03/20 
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Prizes
Travel Scholarship (ISTCP-VII)  2011 
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Allotted class
情報活用基礎 
e-ラーニング英語 I 
生物情報処理特論 
外書講読演習I 
医用情報科学実験 II 
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Memberships of academic societies
理論化学研究会  2015-Present 
分子科学会  2007-Present 
日本化学会  2007/03-Present 
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Open lecture
広島市立大学地域貢献事業発表会  Open lecture  2017/11-2017/11 
オープンキャンパス  Others  2017/07-2017/07 
広島市立大学地域貢献事業発表会  Open lecture  2016/11-2016/11  分子から個体までを対象に理論と実験の両面から医療に貢献するバイオ情報学 
オープンキャンパス  Others  2016/08-2016/08 
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