37 citations · 86 across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 13 cited
Machine learning-enabled high-entropy alloy discovery
Ziyuan Rao, PoYen Tung, Ruiwen Xie +14
High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those wit…
cond-mat.mtrl-sci2022★ 11 cited
Ab initio calculation of the magnetic Gibbs free energy of materials using magnetically constrained supercells
Eduardo Mendive-Tapia, Jörg Neugebauer, Tilmann Hickel
We present a first-principles approach for the computation of the magnetic Gibbs free energy of materials using magnetically constrained supercell calculations. Our approach is bas…