Chemistrynpj Computational Materials
Machine-learned interatomic potentials for alloys and alloy phase diagrams
C. W. Rosenbrock, K. Gubaev, et al.
This groundbreaking research by Conrad W. Rosenbrock and team unveils innovative machine-learned potentials for Ag-Pd alloys, demonstrating the superiority of SOAP-GAP in transferability compared to MTP, while also achieving remarkable accuracy comparable to traditional cluster expansion methods. Discover how these advancements can revolutionize materials modeling for alloys!
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