Overview

On this homepage you can find the jupyter notebooks accompanying the cluster expansion tutorial paper.

P. Ekborg-Tanner, P. Rosander, E. Fransson, and P. Erhart
TITLE
JOURNAL XXX, XXX (2024)

When using these tutorial notebooks as the basis for your own work please cite the above paper.

The notebooks shown here based on the icet package, the documentation of which can be found here. When using icet in your research please cite the following paper:

M. Ångqvist, W. A. Muñoz, J. M. Rahm, E. Fransson, C. Durniak, P. Rozyczko, T. H. Rod, and P. Erhart
ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
Advanced Theory and Simulations 2, 1900015 (2019)

Please also cite pertinent feature specific references, which you can find here.

The tutorial notebooks compiled here have been developed by Pernilla Ekborg-Tanner, Petter Rosander, Erik Fransson, and Paul Erhart at the Department of Physics of Chalmers University of Technology in Gothenburg, Sweden with funding from the Swedish Research Council and the National Academic Infrastructure for Supercomputing in Sweden.