Rchr
J-GLOBAL ID：200901058656224882   Update date: Jul. 20, 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)： 物理化学 ,  Theoretical Chemistry ,  Quantum Chemistry ,  Electronic State Theory ,  Molecular Simulation ,  Machine Learning
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 (495)：
  • Shota Ohno, Hiroki Uratani, Hiromi Nakai. Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding Method. The Journal of Physical Chemistry A. 2024
  • Ryusei Nishimura, Takeshi Yoshikawa, Ken Sakata, Hiromi Nakai. Excitation configuration analysis for divide-and-conquer excited-state calculation method using dynamical polarizability. The Journal of Chemical Physics. 2024. 160. 24
  • 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
  • Muhammad Yusuf, Nova Pratiwi Indriyani, Arifin, Aditya Wibawa Sakti, Hiromi Nakai, I. Made Arcana, Muhamad Abdulkadir Martoprawiro, Yessi Permana. Ring-opening polymerization of ε-caprolactone by Zr(IV) tris(β-diketonates): Electronic character of complexes in initiation and propagation steps. Inorganica Chimica Acta. 2024. 561
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MISC (19)：
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Patents (5)：
Books (34)：
  • 手で解く量子化学II-電子相関法・密度汎関数理論編
    丸善出版 2024 ISBN:9784621308943
  • 手で解く量子化学I-基礎量子化学・Hartree-Fock編
    丸善出版 2022 ISBN:9784621307335
  • 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(化学の基本シリーズ3)
    化学同人 2019 ISBN:9784759818475
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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 (30)：
  • 2023/10 - 現在 日本学術会議 連携会員(第三部 化学委員会)
  • 2023/05 - 現在 科学技術振興機構(JST) 先端的カーボンニュートラル技術開発(ALCA-Next)資源循環領域・エネルギー変換領域・蓄エネルギー領域 アドバイザー
  • 2023/01 - 現在 American Chemical Society (ACS) Editorial Board, J. Phys. Chem. A (JPCA)
  • 2022/09 - 現在 分子科学会 幹事(顕彰委員長)
  • 2022/07 - 現在 日本学術振興会(JSPS) 学術システム研究センター 主任研究員(化学専門調査班)
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Awards (11)：
  • 2023/12 - Asia-Pacific Association of Theoretical & Computational Chemists (APATCC) 2024 Fukui Medal Innovative advancements in electronic structure theory for large complex systems
  • 2023/06 - International Academy of Quantum Molecular Science (IAQMS) 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 量子化学
  • 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) (11)：
Japan Society of Theoretical Chemistry (JSTC) ,  Royal Society of Chemistry (RSC) ,  Asia-Pacific Association of Theoretical & Computational Chemists (APATCC) ,  The World Association of Theoretically Oriented Chemists (WATOC) ,  American Chemical Society (ACS) ,  American Institute of Physics (AIP) ,  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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