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.

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

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.

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