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 Team
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Report published for the last #MARVEL_NCCR/@max_center2/#PsiK high-throughput tutorial using #AiiDA: check it out! t.co/TytZnYdGzl

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AiiDA Team
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Download a virtual machine and try the latest AiiDA (no need to install)! t.co/3Sd8jgqjUA #MARVEL #MaX @max_center2 @QuantumESPRESSO

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AiiDA Team
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AiiDA 0.9.0 released! t.co/6cHdPX8gTJ #MARVEL #MaX @max_center2 @QuantumESPRESSO

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6 days ago
Scientific Report on the “2017 MARVEL/Psi-k/MaX tutorial on high-throughput computations: general methods and applications using AiiDA” - Psi-k

We have published a report of the past #MARVEL_NCCR / #MaX_CoE / #Psi-K tutorial on high-throughput using #AiiDA: read the full story on the Psi-K ... See more

EPFL, Lausanne, Switzerland, 29-31 May 2017 High-throughput computing (HTC) is emerging as an effective methodology in computational materials science for the discovery of novel materials and the ... See more

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1 week ago
AiiDA – New AiiDA tutorial (based on 0.9.0) released

If you would like to try AiiDA 0.9.0 you can download the virtual machine found at http://www.aiida.net/news/new-aiida-tutorial-based-on-0-9-0-released/
(No need of installation!)
#MARVEL_NCCR ... See more

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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1 week ago
AiiDA – New AiiDA release 0.9.0

A new version of AiiDA (0.9.0) was just released! More information can be found at http://www.aiida.net/news/new-aiida-release-0-9-0/
#MARVEL_NCCR #MaX_CoE Quantum ESPRESSO

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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