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

Posts

New release AiiDA 0.9.1

👤 🕔 September 4, 2017 Comments Off on New release AiiDA 0.9.1

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

MaX prize for flagship codes application

👤 🕔 July 19, 2017 Comments Off on MaX prize for flagship codes application

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/

Summary report of the AiiDA tutorial

👤 🕔 June 21, 2017 Comments Off on Summary report of the AiiDA tutorial

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!

New AiiDA tutorial (based on 0.9.0) released

👤 🕔 June 15, 2017 Comments Off on New AiiDA tutorial (based on 0.9.0) released

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.

New AiiDA release 0.9.0

👤 🕔 June 15, 2017 Comments Off on New AiiDA release 0.9.0

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:

  • data export functionality
  • workchains
  • plugin system
  • documentation
  • bug fixes & enhancements

More details on the changes of this version can be found at:
https://github.com/aiidateam/aiida_core/blob/v0.9.0/CHANGELOG.md

Open position for a software engineer/web developer – MARVEL, EPFL, Switzerland

👤 🕔 April 28, 2017 Comments Off on Open position for a software engineer/web developer – MARVEL, EPFL, Switzerland

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).

Read more…

AiiDA demos available on Youtube!

👤 🕔 April 26, 2017 Comments Off on AiiDA demos available on Youtube!

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!

New AiiDA Release 0.8.0

👤 🕔 April 24, 2017 Comments Off on New AiiDA Release 0.8.0

A new AiiDA release (0.8.0) is available! You can find more information at our download page.

MaX User Portal ready

👤 🕔 February 28, 2017 Comments Off on MaX User Portal ready

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:
http://us15.campaign-archive1.com/?u=f6d268e6623dd573c954ac5a4&id=4f9cb7207f&e=5e285b3d1f

New AiiDA tutorial available for download

👤 🕔 January 25, 2017 Comments Off on New AiiDA tutorial available for download

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.