Training

Luchon Winter School - TREX Tutorials in Quantum Monte Carlo (QMC)

The Luchon Winter School

Luchon Winter School of the Erasmus Mundus will hold a training event from 25th of January to 8th of February 2021. The event features the TREX project (Targeting Real Chemical Accuracy at the Exascale) in the field of Theoretical Chemistry and Computational Modeling.

The École des Sciences Avancées de Luchon aims to promote the development of advanced sciences and to enhance interdisciplinary exchange between different sciences. It also aims to bring the modern scientific achievements to students and young researchers organizing schools and workshops in summer and winter.

The Tutorials in Theoretical Chemistry at Luchon Winter School will focus on the computer implementation of methods in Quantum Chemistry.

They will include:

  • Advanced programming techniques,
  • Geometry and Topology,
  • Building Nanoparticles,
  • Low-dimensional carbon structures,
  • Quantum Magnetism,
  • The Heisenberg model,
  • Propagating wave packets,
  • Vibrations in Molecules
  • Harmonic/Morse Oscillators.

Claudia Filippi and Anthony Scemama from TREX will participate by teaching one extra day to introduce the basic concepts of Quantum Monte Carlo (QMC) methods and explain how to write a simple QMC program

The goal of the tutorial: Compute the *exact* energy of H2 with Diffusion Monte Carlo.
What are we going to learn:

  • To compute the energy without integrals.
  • How to perform an efficient stochastic sampling with Variational Monte Carlo.
  • How to implement a Diffusion Monte Carlo algorithm.
  • Embarrassingly parallel workloads.
quantum physics - TREX Luchon Winter School

Audience

There will be around 25-35 participants among Master students and 1st-year PhD students

Usually, the number of participants is higher since the event is also open to Masters and 1st-year PhD students outside the Erasmus program. However, this year, the school will be online because of COVID-19 and the organizers will limit the participation to the Erasmus Mundus Students, due to the difficulties of organizing effective online hands-on sessions for a much larger audience. 

Background

It is required basic knowledge of programming and quantum chemistry, students will be able to appreciate the capabilities of these sophisticated stochastic approaches and consider them as a valuable tool for future applications. 

If you wish to know more about Luchon Winter School and the Tutorials in Theoretical Chemistry feel free to discover further info at https://www.irsamc.ups-tlse.fr/lttc/