3 papers
cond-mat.mtrl-sci2026
\textit{Ab initio} \textit{GW}-BSE theory of optical activity in -quartz
Xiaoming Wang, Yanfa Yan
We present an ab initio many-body theory of optical activity in solids within the GW-BSE framework. Dielectric spatial dispersion is formulated in two complementary forms: exciton…
cond-mat.mtrl-sci2026
Photoinduced metastable cation disorder in metal halide double perovskites
Shunran Li, Burak Guzelturk, Conrad A. Kocoj +18
Lead-free perovskites have emerged as environmentally benign alternatives to lead-halide counterparts for optoelectronics. Among them, the double perovskite Cs2AgInCl6 family exhib…
physics.data-an2025
Neural Network-Guided Symbolic Regression for Interpretable Descriptor Discovery in Perovskite Catalysts
Yeming Xian, Xiaoming Wang, Yanfa Yan
Understanding and predicting the activity of oxide perovskite catalysts for the oxygen evolution reaction (OER) requires descriptors that are both accurate and physically interpret…