AiiDA Tag

After a successful Google Summer of Code (GSOC) 2020 under the NumFocus umbrella, the AiiDA team plans to participate in GSOC 2021 as well.Are you a student / PhD student passionate about (python) programming and open science? Google Summer of Code is a way for you to spend 10 weeks during...

As we recently posted, new INTERSECT project deliverables are out! Deliverable 2.4, "Materials-to-device and device-to-materials syntactic interconnections", by our intersecters C. Rosati, M. Bertocchi, F. Benedetto, A. Padovani, V. Lunardelli, F. J. Dos Santos, N. Marzari, and A. Calzolari, is developed within WP2, "Interconnection and Interoperability Implementations", under...

Our intersecter Fraunhofer IWM is giving workshops about the Metadata scheme of the ontologies and capabilities of the BDSS (Business Decision Support System) developed in the pan-European H2020-project FORCE (Formulations and Computational Engineering) on January and February, 2021. The workshops will be offering a detailed...

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,...