AiiDA virtual tutorial 2021#

Welcome to the official home of the latest tutorial materials and videos of the AiiDA virtual tutorial, which was organised from 5-9 July 2021! Below you can find the schedule of the tutorial, as well as the AiiDA cheat sheet, which will come in handy as you are working through the material:


Although the material on this page was used for the 2021 tutorial event, it has been reworked significantly to also allow new AiiDA users to learn all about the software outside of the scope of a live tutorial. We aim to replace the material on the main AiiDA tutorials website by this content soon, removing all event-related information.


For this virtual tutorial, most presentations have been recorded beforehand, so you can watch them at the time that is most convenient for you. However, you are required to watch certain presentations before the hands-on sessions of certain days. These are tabulated below:




Monday July 5th

Marnik Bercx

Welcome and AiiDA Tutorial Overview (LIVE)

Francisco Ramirez

Introduction to AiiDA

Tuesday July 6th

Giovanni Pizzi

The Materials Cloud

Aliaksandr Yakotovich

AiiDA lab

Wednesday July 7th

Sebastiaan Huber

Provenance and workflows in AiiDA

Thursday July 8th

Leopold Talirz

The AiiDA Plugin Ecosystem

Casper Andersen


Chris Sewell

AiiDA Installation Tutorial

Hands-on sessions#

The material for the hands-on sessions is divided in 5 units:

These are also accessible via the sidebar on the left. The tutorial can be run on your own work station, or on the Quantum Mobile virtual machine. See the “Set up” section, also accessible by clicking below, along with the module for the first hands-on topic.

Contributed talks#

Supplementing the presentations above, there are also contributed talks from plugin developers and experienced AiiDA users. These can be watched at any time, but please try to watch them before Friday July 9th, as we have planned a Q&A with the plugin developers at the start of the first hands-on session of that day. Here is a list of all the contributed talks:



Emanuele Bosoni

Introducing aiida-siesta

Dou Du


Daniele Ongari

Using AiiDA to study gas adsorption in microporous crystals

Dominik Gresch

Introduction to aiida-optimize

Atsushi Togo

Harmonic phonon calculation using AiiDA AiiDA-VASP and AiiDA-phonopy

Bonan Zhu

Introducing aiida-castep

Philipp Rüßmann

The aiida-kkr plugin

Miki Bonacci

The Yambo-AiiDA plugin

Leonid Kahle

Using AiiDA to screen for solid-state Li-ion conductors

Jens Bröder

Introduction to AiiDA-Fleur

Espen Flage-Larsen

Introduction to AiiDA-VASP