Event Detail Information
CM Seminar: "Directly simulating electron correlations in realistic models of strongly interacting materials"
I will present a summary of high accuracy quantum Monte Carlo calculations on realistic models of strongly correlated systems, focusing on recent applications to the undoped regime of the high Tc superconducting cuprates and vanadium dioxide. To date, it has been an open challenge to simulate the microscopic electronic structure of these materials to sufficient accuracy to capture basic emergent parameters like the superexchange in cuprates and metal-insulator transition in vanadium dioxide. Using the new Blue Waters facility at Illinois and advanced quantum simulation algorithms, we have calculated the microscopic electronic structure of these and other strongly correlated materials to unprecedented detail. The results have some interesting implications for larger-scale models of these systems; in particular, both these systems share a strong spin-lattice coupling.