MC 5479
Candidate
Keenan LyonÌý| Applied Math, University of À¶Ý®ÊÓƵ
Title
Theoretical and Computational Approaches for Determining the Electronic Properties of Low-Dimensional Materials
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As nanoscience and nanomaterials become more and more relevant in fields as diverseas materials science, medicine, and electronics design, it is important that modelingtechniques and computational approaches keep up and properly account for many of the newÌýphysical phenomena that can occur in these lower-dimensional systems. We present hereÌýthree projects we have been working on that all tie in to this theme: the development ofÌýdensity functional theory (DFT) codes to better understand the optoelectronic propertiesÌýof crystal structures, an investigation into the conductivity properties of two-dimensionalÌýgraphene, and a deep learning-based approach towards improvingÌýthe exchange-correlation energy in DFT, which is an especially important energyÌýcontribution for smaller and low-dimensional systems.