ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

· · 来源:tutorial资讯

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Author(s): Dahua Ren, Qingwei Wang, Zhangyang Zhou, Xinguo Yan, Chunyan Zhang, Teng Zhang, Liushun Wang, Qiang Li, Xingyi Tan, Jinqiao Yi