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cond-mat.mtrl-sci2024★ 1 cited
Probabilistic Prediction of Material Stability: Integrating Convex Hulls into Active Learning
Andrew Novick, Diana Cai, Quan Nguyen +3
Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase di…
cond-mat.mtrl-sci2022
The Mixing Thermodynamics and Local Structure of High-entropy Alloys from Randomly Sampled Ordered Configurations
Andrew Novick, Quan Nguyen, Roman Garnett +2
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post ho…