Grainger College of Engineering, All Events

The numerical simulation of quantum mechanical systems requires algorithms that formulate the equations of quantum theory such that efficient computer simulations for physically relevant quantities can be performed. Numerical methods for quantum simulation have made enormous progress over the last years, to the extent that unbiased finite-temperature quantum simulations of correlated materials are now within reach.

This talk will summarize recent progress on solving the many-body problem ab-initio, i.e. without adjustable parameters and without the construction of effective low-energy models, using diagrammatic and embedding theories. We will show how algorithmic and computational advances have enabled the adaptation of tools that were previously only available on lattice models to real-materials simulations, and how these simulations now avoid several common uncontrolled approximations. A path towards controlled and adaptive many-body simulations is outlined.