Events
Event Overview
New tools to simulate strongly correlated systems
Speaker: Norman Tubman
Date & Time: Friday March 3rd, 2017 - 3:00 PM
Location: Hennings 304
Local Contact: Marcel Franz
Intended Audience: Graduate
Strongly correlated systems are some of the most difficult to simulate with electronic structure methods. The most widely used techniques, for simulating realistic materials, lose their predictive power when electron correlations are important. For example, there remain many open questions about the electronic properties of the high temperature superconducting cuprate materials.
Recent developed methods, that can simulate strong electron correlations, have demonstrated remarkable progress in tackling larger systems than previously thought possible. One such method that I discuss is the adaptive sampling configuration interaction technique (ASCI). The ASCI technique cleverly explores determinant space and very quickly finds the most important degrees of freedom for a given Hamiltonian system. I will demonstrate the capabilities of ASCI on strongly correlated molecular systems and discuss the potential for future applications in solid state systems.