Predictive Simulations in Strongly Correlated Electron Systems and Functional Nanostructures

Recent discoveries in functional nanostructures and strongly correlated materials created extraordinarily promising materials that can revolutionize our way of life. Scientifically, the opportunities fall into two broad categories that will be studied in this project: strongly correlated electron systems that are studied with simplified models but have to be solved with computationally intensive quantum many-body calculations, and large-scale functional nanostructures that can be modeled with first principles electronic structure methods.