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CM Seminar: "Directly simulating electron correlations in realistic models of strongly interacting materials"

SpeakerProfessor Lucas Wagner, Illinois, Department of Physics
Date Mar 21, 2014
Time 1:00 pm  
Location 190 Engineering Sciences Bldg 
Sponsor Physics
Contact Betsy Greifenkamp
Phone 217.333.3022
Event type Seminar/Symposium
Views 385

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.

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