09 June 2025 to 13 June 2025
School on Machine Learning for Molecules and Materials Research – June 2025 in Zadar, Croatia
The School on Machine Learning for Molecules and Materials Research is currently taking place in Zadar, Croatia. The event is supported by CECAM-HQ and co-sponsored by MaX CoE, Psi-k, Cost Action DAEMON, the University of Zadar, the Ruđer Bošković Institute, the Croatian Science Foundation, and the University Computing Centre, Zagreb.
The school aims to introduce researchers to the key machine learning (ML) methodologies that are disruptively transforming the field of computational molecular and materials science. ML is now widely used in academia and industry to enhance accuracy and accelerate discovery, particularly in fields such as pharmaceuticals, energy, aerospace, and specialty chemicals.
The program includes both introductory lectures and hands-on tutorials to help participants better integrate ML into atomistic and molecular modeling workflows.
Topics include:
- High-throughput screening accelerated by ML and density functional theory
- Bayesian optimization of materials and molecular properties
- Generative models for molecules and materials
- Large language models for property prediction
- ML-based interatomic potentials
- ML-driven non-adiabatic and excited state dynamics
- Coarse-grained modeling through ML
- Integration of experimental data in ML pipelines
Livestream and Program
The school will be livestreamed on the DAEMON COST YouTube channel.
You can explore the full program schedule here: schedule
Organisers
Katarina Batalović (VINCA Institute, University of Belgrade), Federico Grasselli (University of Modena and Reggio Emilia), Ivor Loncaric (Ruđer Bošković Institute), Juraj Ovčar (SISSA), Kevin Rossi (TU Delft).