Numerical Methods for Quantum Matter: From Nanographenes to Moiré Materials (NM4QM)

In recent years, powerful numerical techniques have been developed to tackle various two-dimensional materials on the atomic level including quantum many-body systems. With the advent of machine learning, quantum simulations and tensor networks, the tool-box has been considerably extended which can now complement more traditional methods such as First-Principle and Density Functional, Dynamical Mean-Field or atomistic Hartree-Fock theories. The aim of the conference is to address new developments of these numerical methods when applied to large-scale atomistic two-dimensional systems which also include quasi three-dimensional moiré systems or non-commensurate quasicrystals. Implications on quantum transport, unconventional superconductivity, magnetic ordering and many-body ground states shall also be discussed.

This workshop brings together researchers developing and applying advanced numerical methods to study the rich physics of carbon-based systems. Topics will span moiré systems, van der Waals heterostructures, low-dimensional nanocarbons, and charge and heat transport in complex carbon architectures. Emphasis will be placed on method development, including electronic structure, many-body approaches, machine learning and multiscale modeling techniques.

With a particular focus on numerical techniques, the meeting will span 2.5 days of scientific talks followed by half a day of hands-on sessions and a loosely organized 1 day hackathon. Participants are encouraged not only to present their latest results, but also to showcase their code developments and numerical tools, offering others the opportunity to explore and use publicly available software.

ORGANIZING COMMITTEE:

B. Andrei Bernevig (Princeton, DIPC)
Tobias Stauber (CSIC)
Thomas Frederiksen (DIPC, Ikerbasque)