Active learning for predicting the enthalpy of mixing in binary liquids based on ab initio molecular dynamics

· · 来源:tutorial资讯

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Author(s): Xichuan Liao, Haipan Xiang, Rongyang Qiu, Yangchun Chen, Yong Liu, Ning Gao, Fei Gao, Wangyu Hu, Huiqiu Deng