Accurate and robust cluster expansion of multicomponent systems via comprehensive physics-guided featurization

Xufa Huang, Leng Ze Tang, Chryston Boo, Yun Liu, Kedar Hippalgaonkar, Zhidong Leong, Teck Leong Tan

Keywords: Cluster expansion, alloy design, machine learning

TL;DR: Fast, accurate and robust cluster expansion for predicting alloy formation energies based on physics-guided featurzation

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Submission Number: 267