Abstract

Strongly correlated systems are extremely difficult to simulate with traditional electronic structure methods. The most widely used techniques for simulating realistic materials lose their predictive power when strong electron correlations are present. 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. I intend to discuss one such method, which 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.