Automated Interactive Infrastructure and Database for Computational Science#
Automated workflows
for computational science.
Events #
Mon 18th - Fri 22nd Nov 2024
AiiDA coding week 2024
Leysin (CH)Mon 28th Aug - Fri 1st Sep 2023
AiiDA intro and demo at the Adv. Quantum ESPRESSO school
Pavia (IT)Tue 4th - Fri 7th Oct 2022
AiiDA online demonstration and virtual tutorial
OnlineFri 20th May 2022
AiiDA introductory tutorial
University of Antwerp (BE)Mon 16th - Fri 20th May 2022
Wannier 2022 Summer School
Trieste (IT)Mon 6th - Fri 10th Dec 2021
Fifth annual AiiDA coding week
Leysin (CH)Mon 5th - Fri 9th Jul 2021
Tutorial on running and writing workflows with AiiDA
OnlineFri 28th May 2021
AiiDA tutorial at the MaX School on Advanced Materials and Molecular Modelling with Quantum ESPRESSO
OnlineWed 10th Feb 2021
AiiDA tutorial
Federal University of ABC, São Paulo - BrazilWed 2nd Dec 2020
AiiDA tutorial at the BIG-MAP workshop
OnlineFri 10th Jul 2020, 04:00 PM (CDT)
Materials Science Q&A @ SciPy 2020
OnlineThu 9th Jul 2020, 05:00 PM (CDT)
AiiDA talk @ SciPy 2020
OnlineTue 7th - Fri 10th Jul 2020
AiiDA virtual tutorial week
OnlineSponsored by MARVEL, MaX, CECAM, swissuniversities and MarketPlace. Introductory presentations and hands-on workshops.
Wed 25th - Fri 27th Mar 2020
Introduction to AiiDA, aiida-wannier90 plugin, and the workflows to compute automatically Wannier functions
Oxford (UK)Within the School “Wannier90 v3.0: new features and applications”, slides, material and video recordings
Mon 17th - Fri 21st Feb 2020
Hackathon on plugin and workflow development for AiiDA
CINECA Bologna (IT)Thu 19th - Fri 20th Dec 2019
AiiDA tutorial
ISSP University of Tokyo (JP)Mon 9th - Fri 13th Dec 2019
Fourth annual AiiDA coding week
Fiesch (CH)Tue 3rd - Sat 7th Dec 2019
Third AiiDA coding week
Fiesch (CH)Wed 9th - Fri 11th Oct 2019
Writing reproducible workflows for computational materials science using AiiDA
IIT Mandi (IN)Mon 23rd - Fri 27th Sep 2019
VASP & AiiDA workshop
SINTEF Oslo (NO)Mon 16th - Fri 20th Sep 2019
AiiDA tutorial within the summer school on Advanced Materials and Molecular Modelling with Quantum ESPRESSO
LjubljanaFri 6th Sep 2019
Introduction to AiiDA 1.0
Xiamen University (CN)As part of a workshop on computational chemistry and machine learning
Tue 21st - Fri 24th May 2019
Writing reproducible workflows for computational materials science, using AiiDA 1.0
EPF Lausanne (CH)Mon 25th - Fri 29th Mar 2019
AiiDA plugins migration workshop
EPF Lausanne (CH)To support existing plugins in migrating to python 2+3 and the new AiiDA 1.0 release.
Wed 30th May - Fri 1st Jun 2018
PRACE-MaX Tutorial on high-throughput computations: general methods and applications using AiiDA
CINECA - Casalecchio di Reno (Bologna, IT)Hosted at the Italian Supercomputer Center CINECA and co-sponsored by PRACE and the H2020 MaX CoE. It was preceded by an optional two-day introduction to Python. Photos here.
Mon 16th - Fri 20th Oct 2017
Second AiiDA coding week
Leukerbad (CH)Mon 29th - Wed 31st May 2017
Second edition of the MARVEL/Psi-k/MaX AiiDA tutorial
EPF Lausanne (CH)Targeted at students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA platform. Photos here.
Mon 6th - Tue 7th Mar 2017
MARVEL/MaX advanced AiiDA tutorial
EPF Lausanne (CH)Aimed at encouraging collaborations and at discussing about integration of workflows, plugins and curated data within AiiDA and Materials cloud.
Tue 24th Jan 2017
AiiDA tutorial within the ICTP (Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO)
ICTP Trieste (IT)Mon 5th - Fri 9th Dec 2016
First AiiDA coding week
Leysin (CH)Thu 14th - Fri 15th Jul 2016
AiiDA tutorial for users.
ICTP Trieste (IT)This was one of the activities of the ICTP event “College on Multiscale Computational Modeling of Materials for Energy Applications” (photos here).
Wed 22nd - Fri 24th Jun 2016
First edition of the MARVEL/MaX/Psi-k AiiDA tutorial
EPF Lausanne (CH)Tue 1st Mar 2016
AiiDA tutorial
Kyoto (JAP)For some Japanese groups (photos here).
Tue 15th Dec 2015
AiiDA tutorial
Trieste (IT)For the Master in HPC.
Mon 2nd - Fri 6th Nov 2015
AiiDA tutorial for users and developers
EPF Lausanne (CH)This was especially targeted to the developers within the new EU H2020 MaX Centre of Excellence on “Materials Design at the Exascale”, and to the NCCR MARVEL community. Some pictures of the event can be found on our Facebook page.
Thu 5th Feb 2015
AiiDA tutorial for the whole CECAM/Psi-K community
Berlin (DE)Held after the CECAM/Psi-k Research Conference
Fri 31st Oct 2014
AiiDA tutorial
Zurich (CH)For members of the MARVEL NCCR.
Latest posts #
Friday, January 10, 2025 - Setting up a high-throughput infrastructure with AiiDA
One of the main use cases of AiiDA is to set up powerful infrastructures for running calculations in high-throughput on e.g. a set of structures. A straightforward example from the condensed matter community here would be to calculate the band structure of said structures in two steps:
Friday, December 13, 2024 - Non research-domain specific plugins to extend core functionality
Dear users, we’re happy to announce that we have recently crossed the 100-plugin milestone of registered plugin packages on the AiiDA plugin registry. Among those are classics like
aiida-quantumespressoandaiida-vasp, which support the electronic structure codes we all know and love. However, did you know that there are various non research-domain specific plugins that AiiDA developers have created over the years, which can extend AiiDA’s core functionality? In today’s post, we would like to give you a short introduction to some of these plugins, and show you when you can incorporate them into your work, to make sure you’ll get the most out of your AiiDA journey![1]Tuesday, December 03, 2024 - Achievements from the AiiDA coding week 2024
Dear AiiDA users, as promised, in this week’s blog post we give you a rundown of the key achievements of the AiiDA coding week 2024 held in Leysin, Switzerland during 18-22 of November.
Friday, November 15, 2024 - Design principles for AiiDAlab apps
For computational scientists, AiiDA can provide such benefits as workflow automation, HPC integration, and full provenance tracking. However, performing materials simulations may not be immediately accessible to experimentalists with little to no knowledge of the underlying theories.
Friday, November 01, 2024 - aiida-shell: Make running programs through AiiDA a piece of cake
Historically, to run any external program through AiiDA, a set of plugins is required. Plugins are pieces of Python code that would instruct AiiDA how to write the inputs files of the target program, and how to parse the outputs. Having to write these plugins is not trivial for new users and it notoriously increases the learning curve of AiiDA. But even for experienced users, being forced to write plugins for each new program, severly slows down the speed of development and makes prototyping difficult.