Area 51 » Tyberius

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name	Tyberius
member for	2 years
seen	yesterday
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location	Lawrence, KS, United States

2nd year Grad student at the University of Kansas pursuing a PhD in computational chemistry.

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Materials Modeling

For materials design and spectroscopy.

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Materials Modeling: How is charge transfer modeled for periodic systems?

Materials Modeling: What programs compute the exchange-correlation two-electron integrals for Kohn -Sham DFT?

Materials Modeling: How does a complete basis set remove Pulay forces?

Materials Modeling: Why are screened functionals used in solid state electronic structure theory?

Materials Modeling: What computational work has been applied to the problem of valleytronics?

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