About the Workshop

This workshop brings together researchers developing and applying general-purpose machine-learned force fields for atomistic simulations in chemistry and materials science. Through lectures, tutorials, and hands-on sessions, participants will explore the theoretical foundations of symmetry-aware models, practical approaches to training and validation, and strategies for deploying robust force fields in research workflows. The goal is to deepen understanding, encourage broader adoption, and foster a collaborative community around data-driven force fields.

Where

On-site and online event
University of Luxembourg, Luxembourg

Sessions Overview

This workshop includes interactive formats designed to foster discussions and collaboration:

• Invited Talks: Presentations by experts on MLFF theory and applications.
• Hands-on Sessions: Practical exercises for implementing and applying MLFFs in molecular and materials simulations.
• Poster Session: An interactive space to showcase ongoing research and spark collaborations.