AiiDA short demos, April 2017
- Owner: Roberto Bendinelli
- Created on Dec 18, 2023
Series of short demonstrations of AiiDA features and capabilities. The notebooks used in the demo are publicly available at https://github.com/aiidateam/aiida_demos/tree/v1.0
After cloning the repository, checkout tag v1.0
Datasets in the Collection
Use the AiiDA interfaces to external tools to optimize the input parameters of your calculations
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Define the sequence of steps for calculating the equation of state of diamond in the AiiDA workflow framework and run it.
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use AiiDA import and export functionalities to share your data with collaborators
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use the QueryBuilder to perform a structured data mining task taking advantage of the provenance relationship of the AiiDA graph.
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use the AiiDA QueryBuilder to calculate statistics on your graph (e.g. nodes, links, paths)
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use the AiiDA QueryBuilder tool to highlight the connections between nodes in the graph (links).
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use the AiiDA tools to display user-defined portions of its data graph.
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Use the AiiDA built-in importers to retrieve atomic structures from crystallographic online databases such as COD and ICSD
Owner: Roberto Bendinelli
Created on Dec 18, 2023
Prepare, store and submit a Quantum ESPRESSO-PW self-consistent calculation for diamond.
Owner: Roberto Bendinelli
Created on Dec 18, 2023
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