AiiDA Tag

A new paper about “AiiDAlab - An ecosystem for developing, executing, and sharing scientific workflow", by our intersecter Marzari et al., is available online, and will be soon published on Computational Materials Science (2021, volume 188, February 15), Abstract: Cloud platforms allow users to execute tasks directly...

A new paper about "Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows", by Martin Uhrin, Sebastiaan P. Huber, Jusong Yu, our intersecter Nicola Marzari, and Giovanni Pizzi, has been published on Computational Materials Science, Volume 187, 1 February 2021. Executive...

A fifth minor version of the AiiDA v1 series is out with a couple of new features and some relevant bug fixes. Support for Python 3.5 is dropped and support for Python 3.9 is added. AiiDA is an open-source Python infrastructure to help researchers with automating,...

Due to the ongoing safety concerns related to the COVID-19 pandemic, the introductory tutorial to AiiDA from the 7th to the 10th of July 2020, originally planned to take place in Vilnius, will now be organised in a virtual format. Key details of the event When: From July...

Our INTERSECT deliverable 2.2 about “QE and SIESTA Workflows for Basic Materials Parameters“, by our intersecters Daniele Tomerini, Alberto García, Pablo Ordejón, and Nicola Marzari, is out! Executive summary: Materials properties in the context of the Interoperable Material-to-Device simulation box are either retrieved from external sources...

AiiDA tutorial on writing reproducible workflows for computational materials science (online materials)Tutorial materials: https://aiida-tutorials.readthedocs.io/en/latest/ Videos: https://www.youtube.com/playlist?list=PL19kfLn4sO_-QtPaHAA8KByFluT2vvlG Website: www.aiida.net Coordinates When May 21st, 2019 (9:00) until May 24th, 2019 (13:00) Where EPFL, Lausanne, Switzerland Registration Registration link(closed March 24th, 2019 for people asking financial support; a few spots are still open so you can...