AiiDA Tutorials
tutorial-2020-Intro-Week

Hands-on sessions

  • 1. Getting set up
  • 2. AiiDA basics
  • 3. Running computations
  • 4. Working with data and querying your results
  • 5. Workflows: Basics
  • 6. A real-world WorkChain: Computing a band structure
  • 7. Workflows: Advanced
  • 8. Interfacing with external codes and writing plugins
  • 9. Retrieving tutorial data

Appendices

  • 1. Exploring the provenance graph
  • 2. Calculation input validation
  • 3. More workflow logic: while loops and conditional statements
AiiDA Tutorials
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© Copyright 2019, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland and ROBERT BOSCH LLC, USA. All rights reserved Revision d9cf90f4.

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