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
Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi, Koji Okuwaki, Masashi Kaneko, Yuji Mochizuki, Koichiro Takao. Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation. Chem. Comm. 2024. 60. 4769-4772
Sota Matsuoka, Kota Sakakura, Yoshinobu Akinaga, Kazuki Akisawa, Koji Okuwaki, Hideo Doi, Yuji Mochizuki. Enhancement of energy decomposition analysis in fragment molecular orbital calculations. Journal of Computational Chemistry. 2023
Koji Okuwaki, Hideo Doi, Taku Ozawa, Yuji Mochizuki. Development of reverse mapping system bridging dissipative particle dynamics and fragment molecular orbital calculation. Japanese Journal of Applied Physics. 2023
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
MOCHIZUKI Yuji, NAKANO Tatsuya, SAKAKURA Kota, WATANABE Hiromasa, SATO Shinya, OKUWAKI Koji, AKISAWA Kazuki, DOI Hideo, OHSHIMA Satoshi, KATAGIRI Takahiro. FMOプログラムABINIT-MPの整備状況2022. J. Comp. Chem. Jpn. 2023. 21. 4. 106-110
奥脇弘次, 新庄永治, 西田瑠花, 加藤幸一郎, 土屋裕大朗, 土居英男, 望月祐志, 望月祐志, 福澤薫, 福澤薫, et al. Simulation of Lipid Membrane, Cholesterol, and Proteins using FMO-DPD Method. 応用物理学会春季学術講演会講演予稿集(CD-ROM). 2020. 67th
Non-Empirical calculation of parameters for DPD simulation with the aid of machine learning
(2023)
Improving Efficiency of Non-Empirical Calculation of Parameters for DPD Simulation by Machine Learning
(2023)
Parameter development for DPD simulation of microdomain in lipid bilayers with effective parameter based on fragment molecular orbital calculation
(2023)
DPD simulation of microdomain in lipid bilayers with effective parameter based on fragment molecular orbital calculation
(The 83rd JSAP Autumn Meeting 2022 2022)
