Maria Troppenz

Decoupling many-body interactions in the CeO₂(111) oxygen vacancy structure with statistical learning and cluster expansion

CELL: a Python package for cluster expansion with a focus on complex alloys

Partial Order-Disorder Transition Driving Closure of Band Gap: Example of Thermoelectric Clathrates

First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures

Thermally enhanced Fröhlich coupling in SnSe

Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba₈Al_<i>x</i>Si_{46–<i>x</i>}and Sr₈Al_<i>x</i>Si_{46–<i>x</i>}