Quantum Embedding Methods
Quantum embedding methods are theoretical approaches to study models and materials with strong electronic correlations that are formulated in terms of a few degree of freedom system (“quantum impurity” or “atom”) coupled to a self-consistently determined environment. Dynamical mean field theory (DMFT) is a posterchild for such approaches.
We use quantum embedding techniques to solve models of interacting fermions and, in combination with electronic structure methods such as DFT and GW, to compute properties of strongly correlated materials.
We also develop next generation quantum embedding methods including
- Vertex extensions to include the effect of longer-range spatial correlations as well as longer range interactions and to accelerate convergence
- New algorithms for solving quantum impurity models, to obtain the precision needed to compute transport at low temperatures and the compute time and memory efficiency needed to address larger impurity systems.
Project Leader: Olivier Parcollet
Project Scientists: Jenny Coulter, Antoine Georges, Olivier Gingras, Samuele Giuli, Jason Kaye, Harry LaBollita, Andy Millis, Miguel Morales, Ina Park, Miles Stoudenmire, Nils Wentzell, Chia-Nan Yeh,