AiiDA Virtual Tutorial - July 2020
Video presentations and slides for the virtual tutorial held in July 2020 using AiiDA v1.3.0. This is the most recent tutorial available for AiiDA.
AiiDA Tutorial Overview
Date: July 7, 2020
Description: Marnik Bercx gives a brief overview of the tutorial and provides some practical information.
Introduction to AiiDA
Date: July 7, 2020
Description: Francisco Ramirez gives a general introduction to AiiDA: starting with a motivation for the development and adoption of the code, then going through some of its main features so that the participants can have a big picture overview and see how it looks like in action.
Setting up an environment with Quantum Mobile Cloud
Date: July 7, 2020
Description: Chris Sewell gives a demonstration on how to connect to your Virtual Machine, using the IP address and SSH key provided, and how to carry basic tasks such as importing files onto the machine, working with the verdi command line and running a Jupyter Notebook.
Provenance and workflows in AiiDA
Date: July 8, 2020
Description: Sebastiaan Huber gives an introduction to AiiDA's provenance model and workflow system.
The AiiDA Plugin Ecosystem
Date: July 9, 2020
Description: An introduction to what AiiDA plugins are, and how AiiDA discovers plugins as well as some advice on how to go about developing your own plugins.
The Materials Cloud
Date: July 10, 2020
Description: Giovanni Pizzi gives an introduction to the Materials Cloud, a web platform for open computational science. Together with AiiDA, it forms our Open Science Platform for FAIR data sharing.
AiiDA lab
Date: July 10, 2020
Description: Aliaksandr Yakutovich introduces the AiiDA lab platform and gives examples of its successful usage for scientific research projects.
AiiDA & OPTIMADE
Date: July 10, 2020
Description: A short overview of the efforts to include and explore OPTIMADE API materials databases in the AiiDA framework.
Using AiiDA to study gas adsorption in microporous crystals
Date: July 11, 2020
Description: Presented by Dr. Daniele Ongari - EPFL
Introduction to aiida-optimize
Date: July 11, 2020
Description: Presented by Dr. Dominik Gresch - Microsoft, Inc.
Harmonic phonon calculation using AiiDA, AiiDA-VASP, AiiDA-phonopy
Date: July 11, 2020
Description: Presented by Dr. Atsushi Togo - National Institute for Materials Science (Japan)
Introducing aiida-castep
Date: July 11, 2020
Description: Presented by Dr. Bonan Zhu - University College London
Introducing aiida-siesta
Date: July 11, 2020
Description: Presented by Dr. Emanuele Bosoni - Institute of materials science of Barcelona
The aiida-kkr plugin
Date: July 11, 2020
Description: Presented by Dr. Philipp Rüßmann - Jülich Research Center
The Yambo-AiiDA plugin
Date: July 11, 2020
Description: Presented by Dr. Miki Bonacci - University of Modena