------------------ Data Analytics II: Cluster Expansion & Thermodynamics ------------------ ========================================= Wednesday, 14:30 – 18:30 ========================================= This tutorial shows how to predict the ground-state configurations of a binary alloy, starting from a set of ab-initio calculations for random distributions of the substituent species. This is achieved through a cluster expansion (CE) of the energy of mixing of the alloy and a configurational sampling. The system studied in this tutorial is the alloy Si\ :subscript:`1-x`\ Ge\ :subscript:`x`\ . The user can specify the parameters determining the quality of the CE and the configurational sampling. The tasks are performed with the cluster expansion package **CELL** - Cluster Expansion for large parent ceLLs. `Link to the tutorial `_