AiiDA
Automated Interactive Infrastructure and Database for Computational Science

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

Recent news & events

Upcoming AiiDA tutorial, ICTP Trieste, January 2017

Next winter we will have a new tutorial for AiiDA users, within the “Advanced Workshop...

Tutorial Section on the AiiDA webpage now available!

We have added a Tutorials section to the AiiDA webpage: www.aiida.net/tutorials. You can already download...

New AiiDA release 0.7.0

A new AiiDA release (0.7.0) is available! You can find more information at our download...

Opening: MaX software scientist/engineer position in the AiiDA team @ EPFL (group of Prof. N. Marzari)

(A PDF version of this advertisement can be found on http://theossrv1.epfl.ch/Main/Openings) An open position for...

 

 

Last AiiDA Tweets

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AiiDA Team
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Upcoming Workshop on Materials Simulations using @QuantumESPRESSO and AiiDA: Jan 16-28@ICTP Trieste, deadline Oct 16 t.co/GC0Qjix9N2

AiiDA Team's Twitter avatar
AiiDA Team
@aiidateam

The AiiDA webpage now has a Tutorials section. You can download a plug-and-play AiiDA tutorial right now! t.co/E0KRMSDizp

AiiDA Team's Twitter avatar
AiiDA Team
@aiidateam

A new AiiDA release (0.7.0) is available! You can find more information at our website (t.co/QvS6ad9VUp).

 

Most recent Facebook posts

2 days ago
Photos from AiiDA's post

Second day of the AiiDA coding week, Leysin CH

3 months ago
Quantum ESPRESSO

Upcoming tutorial for AiiDA users (using Quantum ESPRESSO): register now!

Advanced Workshop on High-Performance & High-Throughput Materials Simulations ( AiiDA ) using Quantum ESPRESSO

From January 16th, 2017 to January 28th, 2017 @ ICTP / ICTP Official Fan Page -- ... See more

3 months ago

The AiiDA webpage now has a Tutorials section. You can download a plug-and-play AiiDA tutorial right now! http://www.aiida.net/?page_id=591 (only VirtualBox needed). Start learning immediately how ... See more

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