I am interested in fundamental understanding and optimizations of energy-related materials using theory and simulations, with a focus on SSZ-13 zeolites as applied to catalysis. The goal is to provide physical insights from modeling utilizing high-performance computers into various aspects of catalysts that guide our collaborators and the research community in general to improved experiment design exampled as the following scheme:
Some of my zeolite catalyst projects are shown below. Click on the project images for more details.
Kinetic evaluation of catalyst
Kinetic evaluation of catalyst
First-principles evaluation of material stability
First-principles evaluation of material stability
Strategies for catalyst synthesis and activation
Strategies for catalyst synthesis and activation
Mechanistic understanding of material synthesis
Mechanistic understanding of material synthesis