Rchr
J-GLOBAL ID：200901058656224882   Update date: Apr. 24, 2024

Nakai Hiromi

ナカイ ヒロミ | Nakai Hiromi
Affiliation and department：
Waseda University Faculty of Science and Engineering School of Advanced Science and Engineering

About Waseda University Faculty of Science and Engineering School of Advanced Science and Engineering


Job title： Professor
Homepage URL  (1)： http://www.chem.waseda.ac.jp/lab/nakai/index.htm
Research field  (1)： Basic physical chemistry
Research keywords  (6)： 分子構造、電子状態、量子化学、電子状態理論 ,  Machine Learning ,  Theoretical Chemistry ,  Molecular Simulation ,  Quantum Chemistry ,  Electronic State Theory
Research theme for competitive and other funds  (32)：
  • 2020 - 2025 Innovative energy storage materials based on the peculiar functions realized by isolated molecules/orbitals.
  • 2018 - 2023 Clarification of Ubiquitous Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations
  • 2017 - 2020 相対論的2成分法に対する新しいハイブリッド密度汎関数の開発
  • 2014 - 2019 Theoretical Study on Function and Dynamics of Ubiquitous Hydrogen
  • 2014 - 2019 ユビキタス水素の機能とダイナミクスに関する理論的研究
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Papers (491)：
  • Dhea Afrisa Darmawan, Evi Yulianti, Qolby Sabrina, Kensuke Ishida, Aditya Wibawa Sakti, Hiromi Nakai, Edi Pramono, Sun Theo Constan Lotebulo Ndruru. Fabrication of solid polymer electrolyte based on carboxymethyl cellulose complexed with lithium acetate salt as Lithium-ion battery separator. Polymer Composites. 2024
  • Chinami Takashima, Hiromi Nakai. Evaluation of picture change effects on fractional occupation number states in noble gas atoms. Theoretical Chemistry Accounts. 2024
  • Ryosuke Sasaki, Mikito Fujinami, Hiromi Nakai. Comprehensive image dataset for enhancing object detection in chemical experiments. Data in Brief. 2024
  • Chinami Takashima, Hiromi Nakai. Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian. Journal of Chemical Theory and Computation. 2024
  • Chien-Pin Chou, Aditya Wibawa Sakti, Yuta Tsuchiya, Yasushi Sekine, Hiromi Nakai. Density-Functional Tight-Binding Molecular Dynamics Study on Fixation Reaction of CO2 to Styrene Oxide Catalyzed by Mg-MOF-74 Metal-Organic Framework. Chemistry Letters. 2024
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MISC (21)：
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Patents (5)：
Books (33)：
  • 理工系のための一般化学
    東京化学同人 2021 ISBN:9784807909940
  • 化学便覧
    丸善出版 2021 ISBN:9784621305218
  • 物理化学
    化学同人 2019 ISBN:9784759818475
  • 化学原理の発見:縮重系励起の対称則
    J. Comput. Chem. Jpn. 2012
  • Description of Core Ionized and Excited States by Density Functional Theory and Time-dependent Density Functional Theory
    Advances in the Theory of Atomic and Molecular Systems 2012
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Education (4)：
  • 1990 - 1992 Kyoto University Graduate School of Engineering Department of Synthetic Chemistry
  • 1989 - 1990 Kyoto University Graduate School of Engineering Department of Molecular Engineering
  • 1987 - 1989 Kyoto University Graduate School of Engineering Department of Molecular Engineering
  • 1983 - 1987 Kyoto University Faculty of Engineering Department of Chemical Engineering
Professional career (2)：
  • 博士(工学) (京都大学)
  • Doctor(Engineering)
Work history (8)：
  • 2006/04 - 現在 Waseda University Department of Chemistry and Biochemistry, School of Advanced Science and Engineering Professor
  • 2012/09 - 2022/03 Kyoto University
  • 2012/10 - 2017/03 科学技術振興機構 戦略的創造研究推進事業(CREST) 研究領域「元素戦略を基軸とする物質・材料の革新的機能の創出」 研究代表者(兼任)
  • 2004/04 - 2006/03 Waseda University Department of Chemistry, School of Science and Engineering Professor
  • 1998/04 - 2004/03 Waseda University Department of Chemistry, School of Science and Engineering Associate Professor
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Committee career (8)：
  • 2020/06 - 現在 日本化学会 理事
  • 2018 - 現在 Asia-Pacific Association of Theoretical & Computational Chemists (APATCC) Board Member
  • 2017 - 現在 China-Japan-Korea Tripartite Workshop of Theoretical and Computational Chemistry (CJK-WTCC) Chair
  • 2014 - 現在 Royal Society of Chemistry (RSC) Fellow of Royal Society of Chemistry (FRSC)
  • 2014 - 現在 World Association of Theoretical and Computational Chemists (WATOC) Board Member
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Awards (11)：
  • 2023/12 - Asia-Pacific Association of Theoretical & Computational Chemists 2024 Fukui Medal Innovative advancements in electronic structure theory for large complex systems
  • 2023/06 - 国際量子分子科学アカデミー Member of International Academy of Quantum Molecular Science
  • 2023/02 - 早稲田大学 2022年度春学期早稲田大学ティーチングアワード総長賞
  • 2016/05 - Minister of Education, Culture, Sports, Science and Technology (MEXT) The 2016 Commendation for Science and Technology
  • 2016/03 - Chemical Society of Japan CSJ Award for Creative Work
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Association Membership(s) (10)：
Japan Society of Theoretical Chemistry (JSTC) ,  Asia-Pacific Association of Theoretical & Computational Chemists (APATCC) ,  The World Association of Theoretically Oriented Chemists (WATOC) ,  American Chemical Society ,  American Physical Society ,  ナノ学会 ,  Catalysis Society of Japan ,  Society of Computer Chemistry, Japan ,  Japan Society for Molecular Science ,  Chemical Society of Japan
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