Research
Towards ab-initio device-level electronic structure models with Density Functional Theory
… structure of molecules and materials in the past 40 years. Despite such a success story, issues linger. Among them, the … issues are cutting short DFT’s applicability to materials science and engineering. In my talk, I will show how density … are treated at the Kohn-Sham DFT level. The talk concludes with a brief venture in the nonequilibrium state of …
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