Physics Colloquium- Dr. Cedric Weber (King’s College London)
Physics Colloquium
November 16, 2022
3:00 PM - 4:00 PM
Location
SES238
Calendar
Download iCal File"Solving the many-body problem with quantum embedding approaches for guiding the design of novel functional materials"
Quantum embedding approaches, such as dynamical mean-field theory, provide corrections to first-principles calculations for strongly correlated materials, which are poorly described at lower levels of theory. The wide class of correlated materials
includes some of the prominent scientific problems of the last century, for instance the high-Tc cuprates.
Density functional theory typically fails often qualitatively for such materials, predicting a metallic behavior whereas the
materials are ceramic insulators.
Although quantum embeddings provide corrections to the theory, they are computationally demanding on classical computing architectures and hence remain restricted to small systems, limiting the scope of their applicability.
Here, we review recent developments in the fields of quantum computing and machine learning in the context of the dynamical mean-field theory and discuss recent applications for archetypal quantum states of matter that emerge due to electronic correlations, such as Kondo and Mott physics.
Using quantum engines as hardware accelerators for materials calculations offer great promises,
but implementations on quantum computers have been so far limited by hardware constraints,
with noisy intermediate-scale quantum era where coherence and noise limits scaling to a large number of qubits. We review a few examples and discuss strategies to reduce the required number of qubits, and bringing materials simulations within the realm of what’s currently achievable.
Date posted
Nov 15, 2022
Date updated
Nov 15, 2022