De novo exploration and self-guided learning of potential-energy surfaces 论文

2019npj Computational Materials引用 220顶会
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Machine Learning in Materials ScienceX-ray Diffraction in CrystallographyComputational Drug Discovery Methods
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相关技术:Computational Drug Discovery MethodsMachine Learning in Materials Science
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De novo exploration and self-guided learning of potential-energy surfaces · 作者

V

Volker L. Deringer

G

Gábor Cśanyi

N

Noam Bernstein