SLAC National Accelerator Laboratory
Group Leader Electronic Structure Methods
SUNCAT Center for Interface Science and Catalysis
My goal is the development of computationally efficient methods to model surface and interfacial chemistry for transition metal oxides. The development is focused on semi-empirical exchange-correlation functionals which are fitted against reference benchmark data.
The electronic structure methods are used to study solid-solid electrochemical interfaces in battery materials, light absorption for photovoltaic applications, and heterogeneous catalysis.
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