The spring PRACE Seasonal School on Modeling Materials using HPC and AI/ML will be organized by the Centre of Operations, Slovak Academy of Sciences in Bratislava, Slovakia. The registration is free of charge.

The workshop is organized as an online event utilizing the Zoom platform. Locally based attendants may join us in Bratislava, depending on the actual SARS-CoV-2 virus/COVID-19 pandemic situation and valid restrictions. For those who will be attending online, enjoy a short tour of Bratislava HERE.

The mission of the PRACE Seasonal School on Modelling Materials using HPC and AI/ML is to get together experts and users in the field of material science in order to pass along knowledge and experience in the underlying theoretical concepts, ways of (parallel) computer implementation of pertinent algorithms, as well as efficient use of existing material science/periodic systems codes and program packages in HPC environment.

We aim to offer an end-to-end crash course covering basic theory, HPC implementation, showcasing typical applications and efficient ways of their (parallel) runs. Lectures as well as hands-on sessions are planned for various topics of the workshop (the exact mode of presentation can be decided by the respective speakers).

In this workshop we address also the utilization of Machine Learning tools and techniques that are being progressively applied to real chemical problems, such as discovery of new chemical compounds and materials with specific properties.

Who can apply: For this workshop, you will need background in theoretical and computational chemistry or physics.