Enhancement of energy decomposition analysis in fragment molecular orbital calculations. - Sota Matsuoka; Kota Sakakura; Yoshinobu Akinaga; Kazuki Akisawa; Koji Okuwaki; Hideo Doi; Yuji Mochizuki (J. Comput. Chem., 2024)

Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model. - Hideo Doi; Tatsuya Nakano; Kota Sakakura; Kazuki Akisawa; Koji Okuwaki; Yoshinori Hirano; Eiji Yamamoto; Kenji Yasuoka; Satoshi Ohshima; Takahiro Katagiri; Yuji Mochizuki (J. Comput. Chem., 2025)