Stable crystal structure prediction using machine learning-based formation energy and empirical potential function

Lu Li, Jianing Shen, Qinkun Xiao, Chaozheng He, Jinzhou Zheng, Chaoqin Chu, Chen Chen

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Chinese Chemical Letters ›› 2025, Vol. 36 ›› Issue (11) : 110421. DOI: 10.1016/j.cclet.2024.110421
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Stable crystal structure prediction using machine learning-based formation energy and empirical potential function

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