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機構に所属する研究者の発表した論文を、タイトル・抄録・分野などから検索することができます。論文の分野はクラリベイト社のESI分類を参考に分類しています（Materials Science, Physics, Chemistry, Engineering, Biologyなど）。
最終更新日: 2024年04月28日
| 16件の論文が見つかりました。論文は出版年月日順に表示しています。（ヘルプ） | |
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| 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 | |
| Noriyuki Yoshii, Yoshimichi Andoh, Susumu Okazaki. Pressure tensor for electrostatic interaction calculated by fast multipole method with periodic boundary condition. Journal of Computational Chemistry. 39 [19] (2018) 1192-1199 10.1002/jcc.25179 | |
| Keisuke Takahashi, Itsuki Miyazato. Rapid estimation of activation energy in heterogeneous catalytic reactions via machine learning. Journal of Computational Chemistry. 39 [28] (2018) 2405-2408 10.1002/jcc.25567 | |
