Browsing CSE PhD Theses by Author "Zhao, Qing"

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    • First-principles approaches for accurate predictions of nanostructured materials 

      Zhao, Qing,Ph. D.Massachusetts Institute of Technology. (Massachusetts Institute of Technology, 2019)
      Nanostructured materials have attracted increasing interest in recent years due to their unusual mechanical, electrical, electronic and optical properties. First-principles electronic structure calculations (e.g., with ...