2026-03-10T18:53:52Z https://kanazawa-u.repo.nii.ac.jp/oai

oai:kanazawa-u.repo.nii.ac.jp:00012005 2024-05-20T04:37:54Z 934:1052:1054:1057

High-Pressure Crystal Structure Prediction Using Evolutionary Algorithm Simulation Athiya, M. Hanna Toru, Yoshizaki Muhamad, A. Martoprawiro 30272941 Oda, Tatsuki Organizing Committee of ISCS 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. Kanazawa e-Publishing 2011-10-01 eng research report VoR https://doi.org/10.24517/00011992 http://hdl.handle.net/2297/44074 https://kanazawa-u.repo.nii.ac.jp/records/12005 10.24517/00011992 2223-0785 Recent development in computational science : Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan 2 37 45 https://kanazawa-u.repo.nii.ac.jp/record/12005/files/ISCS2011Proceedings-37-45.pdf application/pdf 1.1 MB 2017-10-03