Publications

This page compiles publications that have utilized icet. If you want your own publication to show up in this list, please send an email with the subject line “New publication: <paper title>” to icet@materialsmodeling.org.

4
M. Ångqvist, J. M. Rahm, L. Gharaee, and P. Erhart
Structurally driven asymmetric miscibility in the phase diagram of W–Ti
Physical Review Materials 3, 30597 (2019)
3
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)
2
M. Ångqvist and P. Erhart
Understanding chemical ordering in intermetallic clathrates from atomic scale simulations
Chemistry of Materials 29, 7554 (2017)
1
M. Ångqvist, D. O. Lindroth, and P. Erhart
Optimization of the Thermoelectric Power Factor:
Coupling between Chemical Order and Transport Properties
Chemistry of Materials 28, 6877 (2016)