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:

• Getting started
• Running processes
• Managing data
• Writing workflows
• Creating plugins

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.

Set up

First hands-on: AiiDA basics

Presentations

Below you can find the latest list of recorded talks:

Presenter	Title
Kristjan Eimre	The Materials Cloud
Jusong Yu	AiiDA and OPTIMADE
Sebastiaan P. Huber	Provenance and workflows in AiiDA
Francisco Ramirez	The AiiDA Plugin Ecosystem
Aliaksandr Yakutovich	AiiDAlab

Contributed talks

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

Presenter	Title
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	OSSCAR
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

Previous Tutorials

Below is a list of previous tutorials organised by the AiiDA team, with links to the corresponding tutorial material:

Year	Location	AiiDA version
2022	AiiDA virtual tutorial 2022	2.0.4
2021	AiiDA virtual tutorial 2021	1.6.3
2020	BIG-MAP meeting	1.4.3
2020	AiiDA tutorial week “Virtual Edition”	1.3.0
2020	Wannier tutorial “Virtual Edition”	1.3.0
2019	ISSP University of Tokyo, Chiba, Japan	1.0.1
2019	IIT Mandi, Mandi, India	1.0.0b6
2019	SINTEF, Oslo, Norway	1.0.0b6
2019	Jožef Stefan Institute, Ljubljana, Slovenia	1.0.0b6
2019	Xiamen University, Xiamen, China	1.0.0b6
2019	EPFL, Lausanne, Switzerland	1.0.0b3
2019	University of Amsterdam, Amsterdam, Netherlands	0.12.2
2018	Cineca, Bologna, Italy	1.0.0a1
2018	EPFL, Lausanne, Switzerland	0.11.4
2017	EPFL, Lausanne, Switzerland	0.9.0
2017	ICTP, Trieste, Italy	0.7.1
2016	EPFL, Lausanne, Switzerland	0.6.0

Acknowledgements

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.