Ab initio Calculations as a Tool for Predicting Materials Properties
作者： M. N. Popov , V. I. Razumovskiy , A. Reyes-Huamantinco , L. Romaner , J. Spitaler
DOI: 10.1007/S00501-014-0287-4
关键词:
摘要: Ab initio calculations employing density-functional theory have become a state-of-the-art tool of knowledge-based material science. We present series research topics from the Materials Center Leoben and demonstrate how on atomic scale can be used to understand predict materials properties.
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sci-hub.se 参考文章(18)
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