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High-Pressure Crystal Structure Prediction Using Evolutionary Algorithm Simulation
https://doi.org/10.24517/00011992
https://doi.org/10.24517/00011992d80f2fa0-262e-469d-848a-936b0f390ff4
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
ISCS2011Proceedings-37-45.pdf (1.1 MB)
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| Item type | 報告書 / Research Paper(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2017-10-03 | |||||
| タイトル | ||||||
| タイトル | High-Pressure Crystal Structure Prediction Using Evolutionary Algorithm Simulation | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||
| 資源タイプ | research report | |||||
| ID登録 | ||||||
| ID登録 | 10.24517/00011992 | |||||
| ID登録タイプ | JaLC | |||||
| 著者 |
Athiya, M. Hanna
× Athiya, M. Hanna× Toru, Yoshizaki× Muhamad, A. Martoprawiro× Oda, Tatsuki |
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| 書誌情報 |
Recent development in computational science : Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan 巻 2, p. 37-45, 発行日 2011-10-01 |
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| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 2223-0785 | |||||
| 出版者 | ||||||
| 出版者 | Kanazawa e-Publishing | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We implemented a high-pressure crystal structure prediction using evolutionary algo-rithm method, one of successful method to deal with this kind of problems. This method employs three evolution operators to generate a new o spring from its parents; heredity operator, permu-tation operator, and mutation operator. We run two simulation tests to this method and found results having a good agreement with experimental results. We also found some metastable struc-tures produced by this method. | |||||
| 権利 | ||||||
| 権利情報 | Organizing Committee of ISCS | |||||
| 著者版フラグ | ||||||
| 出版タイプ | VoR | |||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
