A new AiiDA release v0.9.1 is available! You can find more information at our download page.
As this is a patch release, the only changes are bug fixes. More details on the exact bugs that were addressed can be found in the change log on GitHub
AiiDA is a flexible and scalable informatics' infrastructure
to manage, preserve, and disseminate the simulations,
data, and workflows of modern-day computational science.
Able to store the full provenance of each object, and based on a tailored database
built for efficient data mining of heterogeneous results, AiiDA gives
the user the ability to interact seamlessly with any number of
remote HPC resources and codes,
thanks to its flexible plugin interface and workflow
engine for the automation of complex sequences of simulations.
Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky,
AiiDA: automated interactive infrastructure and database for
computational science, Comp. Mat. Sci. 111, 218-230 (2016)
Open access link: arXiv:1504.0116
MaX – Materials at the Exascale aims at enabling advancements in materials research via high-performance and high-throughput computing towards the exascale. Its activities are largely centered on frontier developments and applications of four MaX flagship codes, Quantum ESPRESSO, SIESTA, Fleur, Yambo, and the workflow manager, AiiDA.
With this call, MaX establishes a prize to recognize frontier research, performed anywhere in the world, that is enabled by Quantum ESPRESSO, SIESTA, Fleur, Yambo, Aiida, and/or contributes to their advancement. For more information, please visit http://www.max-centre.eu/2017/07/18/prize/
We have published a summary report of the AiiDA tutorial held at the end of the past month on the Psi-k website. Read the full story there!
A new online tutorial distributed as a downloadable virtual machine is now available on our tutorials page.
The new tutorial is based on the new 0.9.0 version of AiiDA. The content was presented at the last AiiDA tutorial held in Lausanne in May 2017.
A new AiiDA release (0.9.0) is available! You can find more information at our download page.
Briefly, we have made improvements comparing to version 0.8.1 in the following sections:
More details on the changes of this version can be found at:
An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland) in the MARVEL NCCR (http://marvel-nccr.ch). Excellent candidates are sought with experience in the development of complex web architectures powered by cloud technologies, to support the development and deployment of the Materials Cloud (www.materialscloud.org), a web portal for computational materials science powered by AiiDA (www.aiida.net).
We have released a Youtube playlist collecting short demos of AiiDA (2 to 5 minutes each).
Here is the link: https://www.youtube.com/playlist?list=PL19kfLn4sO_-XDUeXu5jwUq9k7TId8mM0. You can get the Jupyter notebooks run in the demos from https://github.com/aiidateam/aiida_demos/tree/v1.0.
Enjoy playing with them!
A new AiiDA release (0.8.0) is available! You can find more information at our download page.
Six services are now up and running on the MaX User Portal: access to the latest code releases and documentation, basic and advanced help-desk assistance, consultancy and training in computational materials research. The portal offers a single point of access for MaX flagship codes: Quantum ESPRESSO, Siesta, Fleur, Yambo, and the AiiDA scientific workflow system.
Please find the complete MaX Newsletter here:
We have just made available a downloadable version of the tutorial we just held in Trieste (that you can run locally in a VirtualBox machine, without the need to install AiiDA).
You can find it in the tutorials page.