27 May

Managing, simplifying and disseminating High-Throughput computational materials science with AiiDA, AiiDA lab, and the Materials Cloud Archive

Wednesday 27 May 2020, 03:00pm


The 2nd MaX webinar of a series presenting the most recent developments of the MaX flagship codes.

The available computational power has steadily increased over the past decades and continues to do so, with upcoming superclusters going towards a performance on the scale of Exaflops/s. These advances present great new opportunities for computational science but also pose new challenges with respect to how to automate the resources and manage the data that will be produced.

We will give a short introduction to AiiDA, a tool that is designed to help its users leverage high-performance computing resources to automate workflows of HPC codes, such as those developed by MAX, run on those systems and manage the data that they produce.


The next planned appointments are for Yambo (June 16) and CP2K (June 24). Stay tuned for the next announcements!