Sampling cluster expansions

This section demonstrates the use of icet for sampling cluster expansion models.

The scripts and database that are used in the following sections can be downloaded as a single zip archive. To this end, run the following command from the command line:

curl -O https://icet.materialsmodeling.org/advanced_topics.zip
unzip advanced_topics.zip

• Data container
• Hybrid ensembles
• Wang-Landau simulations
• Thermodynamic integration and temperature-integration simulations
• Parallel Monte Carlo simulations