Our Research
Computational Catalysis for Clean Energy Conversion: Transitioning to sustainable sources of energy is essential to reducing rising levels of CO2 in the atmosphere. Renewable energy technologies such as fuel cells and metal-air batteries are set to play an important role while electrolysis cells can tackle the important clean energy challenge in transforming low-value chemicals to valuable compounds. Catalysts (critical materials that boost the rate of chemical reactions) are at the heart of all clean energy technologies; the current lack of efficient catalysts severely prohibits these technologies from becoming more economically viable.
What we do
We are a Computational Catalyst Materials Design group focused on clean energy applications, including fuel cells, electrolyzers, and batteries. We design catalysts from first principles by modeling electrochemical reactions in silico. Our advanced computational tools enable us to identify the catalyst genome, i.e., the set of atomic-scale descriptors that govern the functional properties of nanocatalysts
Research Highlights
Explore some of our recent research highlights to learn more about our work and its impact. Click below to view featured stories and discoveries from our group.