Quantum Computation for Quantum Chemistry: Status, Challenges, and Prospects – Session 4


November 12, 2012


Garnet Chan and Matthias Troyer


Princeton University, ETH Zurich


3:45 – 4:30 PM
Impacts of Quantum Information in Quantum Chemistry
Speaker: Garnet Chan, Princeton University
I will describe recent intersections between quantum information and quantum chemistry primarily in the areas of entanglement theory and the structure of quantum states, complexity results, and the construction of new numerical many-body methods.

4:30 – 5:15 PM
Strongly Correlated Materials
Speaker: Matthias Troyer, ETH Zurich
Effective models are a common tool in condensed matter physics to describe low temperature properties of materials. The microscopic model with all orbitals and the full Coulomb interaction is reduced to a simplified model with just the relevant valence orbitals and simplified effective interactions. These are simpler to solve than the full Coulomb Hamiltonian. The effective models are typically either quantum lattice models like the Hubbard model or self-consistent quantum impurity models such as in dynamical mean field theory. Given limitations to the scaling for simulating the full Coulomb Hamiltonian on quantum computers, a hybrid approach – deriving effective models from density functional theory codes and solving these effective models by quantum computers seem to be a promising way to proceed for calculating the electronic structure of correlated materials on a quantum computer.

Matthias Troyer is professor of computational physics at ETH Zurich and consultant for Microsoft Research Station Q. He is a recipient of an ERC Advanced Grant of the European Research Council and a Fellow of the American Physical Society. His research activities center on numerically accurate simulations of quantum many body systems, with applications ti quantum magnets, correlated materials, ultracold quantum gases, quantum devices and topological quantum computing. He achieves progress in simulations through novel simulation algorithms combined with high performance computing approaches. He has initiated the open-source ALPS projects for the simulation of quantum many body systems in condensed matter physics.