AiiDA virtual tutorial 2022
Contents
AiiDA virtual tutorial 2022#
Welcome to the official home of the latest tutorial materials and videos of the AiiDA virtual tutorial, which is being organised from 4-7 October 2022! Below you can find the schedule of the tutorial:
Presentations#
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:
Date |
Presenter |
Title |
---|---|---|
Tuesday October 4th |
Marnik Bercx |
(LIVE) Welcome and AiiDA Tutorial Overview |
Wednesday October 5th |
Kristjan Eimre |
|
Jusong Yu |
||
Thursday October 6th |
Sebastiaan P. Huber |
|
Friday October 7th |
Francisco Ramirez |
|
Aliaksandr Yakutovich |
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 will be run in your browser by accessing an AiiDAlab JupyterHub deployed on the Azure Kubernetes Service. 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 October 7th, 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 |
---|---|
Lorenzo Bastonero |
|
Philipp Rüßmann |
Automated multi-scale modelling with the AiiDA-KKR and AiiDA-Spirit plugins |
Leonid Kahle |
|
Emanuele Bosoni |
|
Bonan Zhu |
|
Chris Sewell |
|
Miki Bonacci |
|
Dou Du |
|
Daniele Ongari |
|
Jens Bröder |
|
Espen Flage-Larsen |
|
Dominik Gresch |
Note
Unfortunately not all contributers are able to participate to the Q&A sessions. Those that have indicated their availability have their names in boldface.
Acknowledgements#
We are very grateful to our sponsors for helping to make this event possible:
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.