Vidvuds Ozolins, (Ex-Officio)
Tom Steyer and Kat Taylor Professor of Clean Energy Solutions
+1 (203) 737-3828
Our research interests are in the field of first-principles computational modeling of high-performance materials. We use and develop theoretical methods for quantum mechanical calculations based on the density functional theory (DFT) and beyond, as well as modern statistical simulation methods, such as Monte Carlo, molecular dynamics, and path integral molecular dynamics. One of the main themes of our research is to incorporate recent developments in applied mathematics and machine learning to create rigorous, efficient and highly automated high-throughput methods and to apply them to design and discover materials with exceptional technological properties.