most citedThe Robustness of Cluster Expansion: Assessing the Roles of Relaxation and Numerical Error

47 citations · 47 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2017★ 47 cited

The Robustness of Cluster Expansion: Assessing the Roles of Relaxation and Numerical Error

Andrew H. Nguyen, Conrad W. Rosenbrock, C. Shane Reese +1

Cluster expansion (CE) is effective in modeling the stability of metallic alloys, but sometimes cluster expansions fail. Failures are often attributed to atomic relaxation in the D…