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

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#AiiDA the workflow for calculating materials’ properties and the Materials Cloud project are being presented at th… t.co/leiqZNlBEU

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Quantum Mobile Virtual Machine released t.co/P9TlyYUjOB It comes with @QuantumESPRESSO, Yambo, Fleur, Siest… t.co/HTOakh8u9s

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The latest version of AiiDA 0.10.0 has been released! t.co/CtIu9bv8mN #MARVEL #MaX @max_center2 @QuantumESPRESSO

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2 weeks ago
MaX CoE on Twitter

https://twitter.com/max_center2/status/933382892276928513

#AiiDA the workflow for calculating materials’ properties and the Materials Cloud project are being presented at the #MaXmeeting session about Environment and #HPC AND #data issues by Nicola ... See more

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3 weeks ago

The first version of the Quantum Mobile Virtual Machine has been released: https://github.com/marvel-nccr/quantum-mobile/releases/tag/17.11.0

Quantum Mobile is a virtual machine based on Ubuntu ... See more

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3 weeks ago
AiiDA – New release AiiDA 0.10.0

The latest version of AiiDA 0.10.0 has been released! http://bit.ly/2mJ0IGv #MARVEL #MaX @max_center2 @QuantumESPRESSO

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 ... See more

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