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Tutorial on reproducible workflows in computational materials science - Lausanne, May 2019

Video recordings and educational material from the tutorial held in May 2019 in Lausanne using AiiDA v1.0.0b3.

Introduction to AiiDA and the Open Science Platform WATCH
Introduction to AiiDA and the Open Science Platform
Prof. Nicola Marzari , Dr. Giovanni Pizzi
Date: May 21, 2019
Slides Marzari (PDF) Slides Pizzi (PDF)
Introduction to the workshop WATCH
Introduction to the workshop
Dr. Leopold Talirz
Date: May 21, 2019
Description: Leopold Talirz gives some practical information about the workshop and some statistics about its participants.
Slides Talirz (PDF)
How you can benefit from AiiDA: a case study - Stefaan Cottenier WATCH
How you can benefit from AiiDA: a case study - Stefaan Cottenier
Prof. Stefaan Cottenier
Date: May 22, 2019
Description: Invited talk by Prof. Stefaan Cottenier, on validation and verification of scientific results.
Writing workflows in AiiDA WATCH
Writing workflows in AiiDA
Dr. Sebastiaan Huber
Date: May 22, 2019
Slides Huber
Real-life workchains in aiida-quantumespresso and aiida-vasp WATCH
Real-life workchains in aiida-quantumespresso and aiida-vasp
Dr. Sebastiaan Huber , Dr. Espen Flage-Larsen
Date: May 22, 2019
Slides Huber (PDF)
Workflows in NOMAD - Fawzi Mohamed WATCH
Workflows in NOMAD - Fawzi Mohamed
Dr. Fawzi Mohamed
Date: May 23, 2019
Description: Invited talk by Dr. Fawzi Mohamed.
Slides Fawzi Mohamed (PDF)
The AiiDA lab WATCH
The AiiDA lab
Dr. Aliaksandr (Sasha) Yakutovich
Date: May 23, 2019
Slides Yakutovich (PDF)
The AiiDA plugin ecosystem WATCH
The AiiDA plugin ecosystem
Dr. Leopold Talirz
Date: May 23, 2019
Slides Talirz
Getting started with writing AiiDA plugins (Part 1) WATCH
Getting started with writing AiiDA plugins (Part 1)
Dr. Leopold Talirz
Date: May 23, 2019
Slides Talirz
The Siesta interface to AiiDA (aiida-siesta) WATCH
The Siesta interface to AiiDA (aiida-siesta)
Dr. Alberto Garcia
Date: May 23, 2019
Slides Garcia
Getting started with writing AiiDA plugins (Part 2) WATCH
Getting started with writing AiiDA plugins (Part 2)
Dr. Leopold Talirz
Date: May 23, 2019
Slides Talirz (PDF)
Automatize a DFT code: high-throughput workflows for Abinit - Guido Petretto WATCH
Automatize a DFT code: high-throughput workflows for Abinit - Guido Petretto
Dr. Guido Petretto
Date: May 24, 2019
Slides Petretto
The Materials Cloud WATCH
The Materials Cloud
Dr. Leopold Talirz , Dr. Giovanni Pizzi
Date: May 24, 2019
Slides Talirz & Pizzi
Closing remarks of the workshop WATCH
Closing remarks of the workshop
Dr. Leopold Talirz
Date: May 24, 2019
Description: How to stay in touch and contribute to the AiiDA universe.
Slides Talirz