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Last updated: November 05, 2026
| 18 article(s) found. Sorted by publication dates. (Help) | |
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| Aaditya Manjanath, David Casanova, Ryoji Sahara, Chao‐Ping Hsu. Localized Molecular Orbitals for Single Excitation Theories. Journal of Computational Chemistry. 47 [1] (2026) e70293 10.1002/jcc.70293 | |
| 大西 未優, 大野 彰太, 中田 彩子, 中井 浩巳. Wulffの定理と第一原理計算を用いた金属クラスターの構造予測. Journal of Computer Chemistry, Japan. 23 [3] (2024) 59-61 10.2477/jccj.2024-0023 Open Access | |
| Yoshimichi Andoh, Shin‐ichi Ichikawa, Tatsuya Sakashita, Noriyuki Yoshii, Susumu Okazaki. Algorithm to minimize
MPI
communications in the parallelized fast multipole method combined with molecular dynamics calculations. Journal of Computational Chemistry. 42 [15] (2021) 1073-1087 10.1002/jcc.26524 | |
| Yoshimichi Andoh, Noriyuki Yoshii, Susumu Okazaki. Extension of the fast multipole method for the rectangular cells with an anisotropic partition tree structure. Journal of Computational Chemistry. 41 [14] (2020) 1353-1367 10.1002/jcc.26180 | |
| Noriyuki Yoshii, Yoshimichi Andoh, Susumu Okazaki. Fast multipole method for three‐dimensional systems with periodic boundary condition in two directions. Journal of Computational Chemistry. 41 [9] (2020) 940-948 10.1002/jcc.26141 | |
| Michiko YOSHITAKE, Takashi KONO, Takuya KADOHIRA. Program for Automatic Numerical Conversion of a Line Graph (Line Plot). Journal of Computer Chemistry, Japan. 19 [2] (2020) 25-35 10.2477/jccj.2020-0002 Open Access | |
| 吉武 道子. マテリアルキュレーションⓇ — 科学法則を俯瞰的に利用した材料探索法 —. Journal of Computer Chemistry, Japan. 19 [2] (2020) 36-42 10.2477/jccj.2020-0004 Open Access | |
| Teruo Hirakawa, David R. Bowler, Tsuyoshi Miyazaki, Yoshitada Morikawa, Lionel A. Truflandier. Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs. Journal of Computational Chemistry. 41 [22] (2020) 1973-1984 10.1002/jcc.26367 | |
| Atsushi Ishikawa, Yoshitaka Tateyama. Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches. Journal of Computational Chemistry. 40 [20] (2019) 1866-1873 10.1002/jcc.25838 | |
| 館山 佳尚. リチウムイオン電池 Solid Electrolyte Interphase (SEI) に関する第一原理計算研究. Journal of Computer Chemistry, Japan. 18 [1] (2019) 18-28 10.2477/jccj.2018-0046 Open Access | |
