3 papers
cond-mat.mtrl-sci2025
Accurate Prediction of Tensorial Spectra Using Equivariant Graph Neural Network
Ting-Wei Hsu, Zhenyao Fang, Arun Bansil +1
Optical spectroscopies provide a powerful tool for harnessing light-matter interactions for unraveling complex electronic features such as the flat bands and nontrivial topologies…
cond-mat.mtrl-sci2025
A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
Disorder, though naturally present in experimental samples and strongly influencing a wide range of material phenomena, remains underexplored in first-principles studies due to the…
cond-mat.mtrl-sci2025
Database of Tensorial Optical and Transport Properties of Materials From the Wannier Function Method
Zhenyao Fang, Ting-Wei Hsu, Qimin Yan
The discovery and design of functional materials for energy harvesting and electronic applications require accurate predictions of their optical and transport properties. While sev…