Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials 论文

2018The Journal of Chemical Physics引用 298
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Machine Learning in Materials ScienceCrystallography and molecular interactionsComputational Drug Discovery Methods
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceCrystallography and molecular interactions
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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