Rchr
J-GLOBAL ID：200901093607908580   Update date: Oct. 25, 2024

Mochizuki Yuji

モチヅキ ユウジ | Mochizuki Yuji
Affiliation and department：
Rikkyo University College of Science Department of Chemistry

About Rikkyo University College of Science Department of Chemistry


Job title： Professor
Other affiliations (3)：
  • Rikkyo University  Graduate School of Science Field of Study: Chemistry   Professor
  • Rikkyo University  Graduate School of Science Field of Study: Chemistry   Professor
  • 東京大学  生産技術研究所   リサーチフェロー
Homepage URL  (1)： http://www2.rikkyo.ac.jp/~fullmoon/top.html
Research field  (1)： Basic physical chemistry
Research keywords  (13)： Computational Chemistry ,  quantum chemistry ,  Fragment Molecular Orbital (FMO) ,  fragment molecular orbital ,  ABINIT-MP program ,  Supercomputer ,  biomolecules ,  生体分子 ,  Multiscale Simulation ,  Dissipative Particle Dynamics ,  Machine Learning ,  量子コンピュータ ,  Education of chemical information
Research theme for competitive and other funds  (11)：
  • 2020 - 2022 Understanding ion coordination states to biomembranes at the molecular level: X-ray absorption spectroscopy in water
  • 2019 - 2021 脂質およびタンパク質に関するマルチスケールシミュレーション手法の開発整備と応用展開
  • 2015 - 2020 重点課題6 「革新的クリーンエネルギーシステムの実用化」
  • 2016 - 2019 アクチニド分子種と生体分子の相互作用に関する計算化学的研究
  • 2010 - 2014 Microscopic Analysis of Dynamics-Controlled Organic Reactions
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Papers (295)：
  • Kazuki Akisawa, Yurina Sakuma, Akiko Tsukamoto, Hideo Doi, Koji Okuwaki, Yoshinori Hirano, Eiji Yamamoto, Kenji Yasuoka, Yuji Mochizuki. Statistical Interaction Analyses on AgamOBP1 - DEET/Icaridin Complex. ChemRxiv. 2024
  • Tatsuya NAKANO, Yoshio OKIYAMA, Katsunori SEGAWA, Yoshiro SAITO, Yuji MOCHIZUKI, Yuto KOMEIJI. Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital-based Molecular Dynamics (FMO-MD) Simulation. Journal of Computer Chemistry, Japan -International Edition. 2024. 10. 2023-0038. 1-8
  • Koji Okuwaki, Naoki Watanabe, Koichiro Kato, Chiduru Watanabe, Naofumi Nakayama, Akifumi Kato, Yuji Mochizuki, Tatsuya Nakano, Teruki Honma, Kaori Fukuzawa. Geometry Optimization using the Frozen Domain and Partial Dimer Approach with the Fragment Molecular Orbital Method: Implementation, Benchmark, and Application for Ligand-Binding Site of Proteins. 2024
  • Hideo Doi, Yushi Osada, Yusuke Tachino, Koji Okuwaki, Melvin Wei Shern Goh, Ryugo Tero, Yuji Mochizuki. DPD simulation to reproduce lipid membrane microdomains based on fragment molecular orbital calculations. Applied Physics Express. 2024. 17. 055001
  • Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki. Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme. J. Comp. Chem. 2024. 45. 2204-2213
ｍore...
MISC (123)：
  • 松岡壮太, 柿沼紗也果, 奥脇弘次, 土居英男, 望月祐志. FMODBからのデータ取得用Pythonスクリプトの開発. 2024. 23. 2. 45-49
  • Yuji MOCHIZUKI, Tatsuya NAKANO, Kota SAKAKURA, Koji OKUWAKI, Hideo DOI, Toshihiro KATO, Hiroyuki TAKIZAWA, Akira NARUSE, Satoshi OHSHIMA, Tetsuya HOSHINO, et al. Development Status of ABINIT-MP in 2023. J. Comp. Chem. Jpn. 2024. 23. 1. 4-8
  • Yusuke TACHINO, Hideo DOI, Koji OKUWAKI, Yoshinori HIRANO, Yuji MOCHIZUKI. タンパク質に関する FMO-DPD シミュレーション用パラメータ算定と試行. Journal of Computer Chemistry, Japan. 2023. 22. 2. 15-17
  • 望月祐志(FMO関係の取り纏めと分担執筆). 計算科学ロードマップ2023. 2023
  • 望月祐志. ABINIT-MP Openシリーズ (Ver.2 Rev.8). 2023
ｍore...
Books (10)：
  • Recent Advances of the Fragment Molecular Orbital Method - Enhanced Performance and Applicability -
    Springer 2021 ISBN:9789811592348
  • 科学技術未来戦略ワークショップ報告書 みんなの量子コンピューター ~情報・数理・物理で拓く新しい量子アプリ~
    2019
  • FMO計算によるマルチスケール手法の開発と材料開発への応用
    (株)技術情報協会 2019
  • レアメタル・希少金属リサイクル技術の最先端
    フロンティア出版 2011
  • The Fragment Molecular Orbital Method: Practical Applications to Large Molecular Systems
    Boca Raton, CRC press 2009
ｍore...
Education (3)：
  • - 1990 Hokkaido University Graduate School, Division of Natural Science
  • - 1987 Hokkaido University Graduate School, Division of Natural Science
  • - 1985 Hokkaido University Faculty of Science
Professional career (1)：
  • 理学博士 (北海道大学)
Work history (11)：
  • 2017/04 - 現在 The University of Tokyo Institute of Industrial Science
  • 2010/04/01 - 現在 RIKKYO UNIVERSITY Graduate School of Science Field of Study: Chemistry Professor
  • 2010/04/01 - 現在 RIKKYO UNIVERSITY Graduate School of Science Field of Study: Chemistry Professor
  • 2010/04/01 - 現在 RIKKYO UNIVERSITY College of Science Department of Chemistry Professor
  • 2006/04 - 2017/03 The University of Tokyo Institute of Industrial Science
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Awards (2)：
  • 2020/03 - 日本コンピュータ化学会 2019年度学会賞
  • 2004/07 - CBI学会 ポスター賞 FMO法の発展: MP2法による電子相関の導入
Association Membership(s) (8)：
Japan Society for Molecular Science ,  Japan Society of Theoretical Chemistry ,  THE SOCIETY OF POLYMER SCIENCE, JAPAN ,  INFORMATION PROCESSING SOCIETY OF JAPAN ,  THE JAPANESE SOCIETY FOR ARTIFICIAL INTELLIGENCE ,  THE JAPAN SOCIETY FOR COMPUTATIONAL ENGINEERING AND SCIENCE ,  THE JAPAN SOCIETY OF APPLIED PHYSICS ,  日本コンピュータ化学会
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