2020 AiiDA tutorial week “Virtual Edition”

Related resources

Virtual Machine

AWS access (sent individually) or desktop VM available using this Quantum Mobile release

python packages

aiida-core 1.3.0, aiida-quantumespresso 3.0.0

codes

Quantum ESPRESSO 6.5

This is the content of the AiiDA virtual tutorial, organised from July 7-10 2020.

Presentations

For this virtual tutorial, all 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:

Date

Presenter

Title

Tuesday July 7th

Marnik Bercx

AiiDA Tutorial Overview

Francisco Ramirez

Introduction to AiiDA

Chris Sewell

Setting up an environment with Quantum Mobile Cloud

Wednesday July 8th

Sebastiaan Huber

Provenance and workflows in AiiDA

Thursday July 9th

Leopold Talirz

The AiiDA Plugin Ecosystem

Friday July 10th

Giovanni Pizzi

The Materials Cloud

Aliaksandr Yakotovich

AiiDA lab

Casper Andersen

AiiDA and OPTIMADE

Dou Du

OSSCAR

Supplementing these presentations from the aiida-core developers, there are also contributed talks from the plugin developers. These can be watched at any time, but please try to watch them before Friday July 10th, 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:

Presenter

Title

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 AiiDA-phonopy

Bonan Zhu

Introducing aiida-castep

Emanuele Bosoni

Introducing aiida-siesta

Philipp Rüßmann

The aiida-kkr plugin

Miki Bonacci

The Yambo-AiiDA plugin

Acknowledgements

We are very grateful to the plugin developers for their contributed talks.

The AiiDA virtual tutorial was made possible by support from the MaX European Centre of Excellence, the swissuniversities P-5 project “Materials Cloud”, the MARVEL National Centre of Competence in Research, the H2020 MARKETPLACE project, the H2020 INTERSECT project and the PASC project.

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