The combinatorial growth of the Hilbert space makes the many-electron problem a grand challenge. Progress relies on the development of non-perturbative methods, based on either wavefunctions or self energies. This made, in recent years, calculations for strongly correlated materials a reality. These simulations draw their power from three sources: theoretical advances, algorithmic developments and the raw power of massively parallel supercomputers. Turning to quantum hardware could give quantum materials science the ultimate boost. Before quantum parallelism can be exploited, however, many questions, algorithmic and engineering, need to be addressed.
The school will provide students with an overview of the state-of-the-art of many-body simulations and the promises of quantum computers. After introducing the basic modeling techniques and the concept of entanglement in correlated states, lectures will turn to methods that do not rely on wavefunctions, comparing density functional theory, the GW method and dynamical mean-field theory. Advanced lectures will broaden the discussion, addressing topics from the Luttinger-Ward functional to non-equilibrium Green functions. As a glimpse of future possibilities, the basics of quantum computing and its possible uses in materials simulations will be outlined.
The goal of the school is to introduce advanced graduate students and up to the full range of modern approaches for the realistic simulation of strongly correlated materials with computers.
Click on the lecture for the slides.
| Mon 20 Sept | Tue 21 Sept | Wed 22 Sept | Thu 23 Sept | Fri 24 Sept | |
|---|---|---|---|---|---|
| 14:00 | Welcome | ||||
| 14:30 | 2nd Quantization Jordan-Wigner E. Koch |
Orbital Entanglement Ch. Schilling |
LDA+DMFT Hubbard dimer E. Pavarini |
Analog QSimulations W. Hofstetter |
QChem on QComputers L. Veis |
| 16:00 | Break | ||||
| 16:30 | Quantum Chemistry K. Doll |
Hubbard Dimer: GW P. Romaniello |
GF in Renormal ManyBody PertTh V. Janiš |
Non-Equilibrium GF G. Stefanucci |
QComp Quo Vadis? D. DiVincenzo |
| 18:00 | Break | ||||
| 18:30 | Hubbard Dimer: DFT K. Burke |
Green Functions and Σ-Functionals R. Eder |
QComputer Programming K. Michielsen |
Frustrated Magnets M. Daghofer |
|
| 20:00 | End | ||||
Venue: The school will take place online from 20 to 24 September 2021.
Details will be posted to registered participants.
Participation: The school is intended for advanced graduate or PhD students and postdocs in the field of electronic structure of materials.
Admission: Interested students should apply before July 31, 2021 through the registration form. Accepted applicants will be informed via e-mail two weeks after the deadline for applications.
The lecture notes have been published as an OpenAccess book:
Eva Pavarini and Erik Koch (eds.)
Simulating Correlations on Computers
Modeling and Simulation, Vol. 11
Verlag des Forschungszentrum Jülich, 2021
ISBN 978-3-95806-529-1
