Workshop
Closed for admission

CHASAM - Chalmers School on Atomic-scale Modeling

This school on atomic-scale modeling will cover topics such as training machine-learned interatomic potentials, thermodynamic sampling techniques including molecular dynamics (MD), Monte Carlo, and path-integral MD, as well as the analysis of atomistic simulations. The latter includes, for example, free-energy calculations, phase diagrams, and the prediction of experimental spectra, such as neutron, Raman, IR, and dielectric spectra.

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Overview

Closed for admission
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This five-day school offers hands-on training in modern atomistic simulation techniques för PhD students, postdocs and early-career researchers in materials science, physics and chemistry. 

Topics

Topics include long-range charge-aware potentials, nuclear quantum effects via path-integral MD, free-energy methods, enhanced sampling and connecting simulations to experiment.

You will learn how to train and fine-tune machine-learned interatomic potentials, run molecular dynamics and Monte Carlo simulations, compute thermodynamic and dynamical properties at finite temperature, predict experimental spectra (neutron scattering, X-ray diffraction, Raman, IR) directly from simulations, and visualize and analyze simulation trajectories.

Format

Lectures by international experts paired with hands-on tutorials. Bring your own research project for guided exploration with instructors. 2 ECTS upon completion.

Software and tools

GPUMD, calorine, NEP, MACE, dynasor, OVITO, ASE 

Hosts

The school is hosted at Chalmers University of Technology by Prof. Paul Erhart and Prof. Julia Wiktor.

Paul Erhart
  • Deputy Head Of Department, Physics and Astronomy
Julia Wiktor
  • Professor, Condensed Matter and Materials Theory, Physics and Astronomy

Registration

Spaces are limited, and submitting a registration does not ensure participation. The registration deadline is 30 June 2026 and you will receive confirmation in July regarding whether your application has been accepted.

Please use the registration button above. 

More information

Kontakt

Erik Fransson
  • Staff Scientist, Condensed Matter and Materials Theory, Physics and Astronomy
Contact
Esmée Berger
  • Doctoral Student, Condensed Matter and Materials Theory, Physics and Astronomy
Contact