International Summer School on Computational Quantum Materials 2024

Venue: Jouvence, Orford, Québec, Canada

School application deadline: 15/02/2024

Dates: 19/05/2024 – 31/05/2024

Involved from QuMat:

Cristiane de Morais Smith

The power of quantum mechanics as a description of nature has never been clearer. But it remains a formidable challenge to solve the equations that are necessary to understand collective electronic properties of complex solids. Conceptual advances, new algorithms and the power of modern computers have allowed numerical methods to rank amongst new theoretical frameworks that are indispensable for this purpose.

This School will focus on computational tools for both models and ab-initio methods that deal with so-called “quantum materials” whose spectacular properties range from high-temperature superconductors to large thermopower materials. These properties are consequences of the non-trivial quantum mechanical nature of electrons and of their interactions.

The merging of methods for models of strongly correlated quantum materials with ab-initio methods now allows one to make predictions for materials with d and f electrons that were unimaginable until recently. A good part of the School will be devoted to these.

Extensive hands-on training on freely available codes, ABINITTRIQS, and a few others such as COMSCOPEWannier90 will be an integral part of the School.

Lectures will be pedagogical, presented in a logical sequence and some review material will make sure students are on the same page.

ROOM AND BOARD (in CAD 12 days)

(There is a $200 discount for those that register for the 3 credits PhD course)

Single occupancy with taxes              $1 800

Double occupancy with taxes $1 400

Multiple occupancy with taxes          $1 000

The School will

  • Introduce the background in many-body theory necessary to understand modern computational methods. That includes second quantization, Green functions, functional integrals and functional derivative methods, RPA, GW and TPSC approximations.
  • Give an in-depth introduction to the main numerical methods used in the study of quantum materials, so that the student will be able to use them, become familiar with the breakthroughs they allowed and be able to make a critical appraisal of each method’s relative strengths and weaknesses.
  • Illustrate and contribute to the dramatic cross-fertilization that is occurring between ab initio Density Functional approaches and methods developed in many-body theory for highly correlated quantum materials such as Dynamical Mean-Field Theory (DMFT) and Continuous-Time Quantum Monte Carlo solvers. The steps involved in defining model Hamiltonians from Density Functional approaches will be explained.
  • Introduce the students to a few current research problems, such as quantum systems out of equilibrium, diagrammatic quantum Monte Carlo, Variational wave-functions and Neural networks

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