AIASSE-Abinitio

Ayobami Daramola1, Graeme J Ackland1, Ciprian G Pruteanu1

  • 1Centre for Science at Extreme Conditions and School of Physics and Astronomy, University of Edinburgh, Edinburgh, United Kingdom.

PubMed
概括

一种新的混合方法将分散数据与无序材料的第一原则计算相结合. 这种方法提供了一个全面的原子和电子层面的理解从散装性质的材料.

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