Quantum Monte Carlo calculations of strongly correlated materials

Lucas Wagner
Seminar

Materials in which electron interactions fundamentally change the physical state may offer the possibility for new electronic devices unattainable any other way. Current examples of physical effects include the ultra-fast metal insulator transitions in VO2 and high temperature superconductivity in the cuprates and iron-based materials. Both of these cases cannot be described without accounting for both electron correlations and quantum mechanics. I will talk about our efforts to use high performance computing to directly simulate many-body quantum problems for these materials. This talk will be aimed at non-specialists and will include a discussion of the challenges inherent in the problem as well as those that we have faced while developing the community quantum Monte Carlo code QWalk.