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cond-mat.mtrl-sci2026
High-throughput study of electrical conductivity in ordered metals
Thalis H. B. da Silva, Hai-Chen Wang, Tiago F. T. Cerqueira +3
We present a computational framework that integrates machine learning with high-throughput ab initio calculations to screen over 2.8 million compounds for metallic transport. We id…
cond-mat.mtrl-sci2023
Two-Dimensional Noble Metal Chalcogenides in the Frustrated Snub-Square Lattice
Hai-Chen Wang, Ahmad W. Huran, Miguel A. L. Marques +4
We study two-dimensional noble metal chalcogenides, with composition {Cu, Ag, Au}2{S, Se, Te}, crystallizing in a snub-square lattice. This is a semi-regular two-dimensional tessel…