AiiDA tutorials#

Welcome to the official home of the latest tutorial material and videos for AiiDA virtual tutorial, based on our latest virtual tutorial organised 4-7 October 2022!

Hands-on material#

The material is divided in 5 units:

These are also accessible via the sidebar on the left. The “Set up” section, also accessible by clicking below, is a good place to start, as it will tell you how to run the tutorial material.


Below you can find the latest list of recorded talks:



Kristjan Eimre

The Materials Cloud

Jusong Yu


Sebastiaan P. Huber

Provenance and workflows in AiiDA

Francisco Ramirez

The AiiDA Plugin Ecosystem

Aliaksandr Yakutovich


Contributed talks#

Supplementing the presentations above, there are also contributed talks from plugin developers and experienced AiiDA users:



Lorenzo Bastonero

Phonons with AiiDA-Phonopy v1.0

Philipp Rüßmann

Automated multi-scale modelling with the AiiDA-KKR and AiiDA-Spirit plugins

The AiiDA-KKR plugin

Leonid Kahle

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

Emanuele Bosoni

Introducing AiiDA-Siesta

Bonan Zhu

Introducing AiiDA-Castep

Chris Sewell

AiiDA common workflows

Miki Bonacci

The Yambo-AiiDA plugin

Dou Du


Daniele Ongari

Using AiiDA to study gas adsorption in microporous crystals

Jens Bröder

Introduction to AiiDA-Fleur

Espen Flage-Larsen

Introduction to AiiDA-VASP

Dominik Gresch

Introduction to aiida-optimize


We are very grateful to our sponsors:

The MaX European Centre of Excellence, the MARVEL National Centre of Competence in Research, the swissuniversities P-5 project “Materials Cloud”, the H2020 MARKETPLACE project, and the BIG-MAP project. Computational resources on Azure were provided by Microsoft Azure Quantum.