Modern technological systems would not work without nanomaterials today. For more than 15 years, Dr. Tritsaris has conducted research at the intersection of materials physics, chemistry and computational science with focus on developing and using quantum mechanical models and methods to obtain new insights into the physical and chemical processes that govern nanostructured surfaces and interfaces. The idea of such interdisciplinary work is to circumvent the trial and error nature of the lab and accelerate materials innovation by using supercomputers to conduct virtual experiments and by using intelligent algorithms to automate the scientific process. A central theme has been the integration of materials theory, multiscale modeling, and data analysis into workflows for high-throughput screening and rational design of materials. Typical structures and datasets of interest describe composite, low-dimensional, and carbon- and transition metal oxide-based nanomaterials with applications in catalysis, photovoltaics, batteries, and quantum technology.
Extended description of scholarly interests available here.