Materials Computation Center

Alloy Electronic Structure, Structural Formation Energies, and Preliminaries of Cluster Expansion Hamiltonians

Duane D. Johnson – University of Illinois at Urbana-Champaign

Improving Accuracy of Thermodynamics predicted from Multi-scale methods by Global Data integration

Nikolai Zarkevich – U. of Illinois – Urbana-Champaign

Constructing Cluster Expansions for Size-Mismatched Systems

Gus Hart – Northern Arizona University

ATAT - A software toolkit for modeling coupled configurational and vibrational disorder in alloy systems

Axel van der Walle– Northwestern University

Genetic Algorithm Strategy for Cluster Expansions

Gus Hart – Northern Arizona University

Thermodynamics, Phase Diagrams, and the Cluster Expansion

Dane Morgan – U. of Wisconsin

Diffusion in Alloys via the Cluster Expansion

Anton van der Ven – U. of Michigan