Credits

icet has been developed at Chalmers University of Technology in Gothenburg (Sweden) in the Materials and Surface Theory division at the Department of Physics, in collaboration with the Data Analysis group at the Data Management and Software Center of the European Spallation Source in Copenhagen (Denmark).

Contributors: Mattias Ångqvist, William A. Muñoz, Magnus Rahm, Erik Fransson, Céline Durniak, Piotr Rozyczko, Thomas Holm Rod, and Paul Erhart.

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
Adv. Theory. Sim., 1900015 (2019)