Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method - researchr publication

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Mingyuan Xu, Tong Zhu, John Z. H. Zhang. Automated Construction of Neural Network Potential Energy Surface: The Enhanced Self-Organizing Incremental Neural Network Deep Potential Method. Journal of Chemical Information and Computer Sciences, 61(11):5425-5437, 2021. [doi]

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