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Managing, simplifying and disseminating High-Throughput computational materials science with AiiDA, AiiDA lab, and the Materials Cloud Archive
Date:
27 May 2020
Location:
Online
The second webinar of a series presenting the most recent developments of the MAX flagship codes entitled "Managing, simplifying and disseminating High-Throughput computational materials science with AiiDA, AiiDA lab, and the Materials Cloud Archive" will be held on 27 May 2020 at 3 PM CEST.
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.
By participating, you will be able to learn:
- How the MAX flagship code AiiDA supports its users to manage their computational workflows and the data that is produced,
- How AiiDA code can be used to automate workflows that directly employ the other MAX flagship codes, such as Quantum ESPRESSO,
- How AiiDA lab provides a user-friendly GUI to the workflows even for non-experts, and
- How the resulting data can easily be published through the Materials Cloud Archive.
Visit the official webinar page and see the exciting agenda prepared for its attendees.
MaX webinar series
This seminar is included in a series presenting the most recent developments of the MaX flagship codes. The next planned appointments are for Yambo (June 16) and CP2K (June 24). Stay tuned for the next announcements!
