oxygen adsorbates on Pt(111) surface


Welcome to my website!
Dave Schmidt

I am a recent computational chemical engineering PhD graduate from the Schneider Research Group at the University of Notre Dame. I am currently looking for a computational, quantitative, or software engineering position.

While at the University of Notre Dame, I developed computational models for heterogeneous catalysis. I employed a combination of computational techniques and software, including density functional theory (DFT) as implemented by the Vienna Ab Initio Simulation Package (VASP), the cluster expansion Hamiltonian fit to DFT calculated energies, and grand canonical Monte Carlo simulations to model O2 adsorption and NO oxidation on transition metal (111) surfaces.

My research was done in collaboration with Professor Wolverton from Northwestern University and Dr. Wei Chen who currently holds a postdoctoral fellowship at Lawrence Berkeley National Laboratory.


© 2013 Dave Schmidt

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