2 papers
cond-mat.mtrl-sci2026
A Physics-Informed Chemical Rule for Topological Materials Discovery
Xinyu Xu, Arif Ullah, Ming Yang
Topological phases of matter$\unicode{x2013}$comprising both insulators and semimetals$\unicode{x2013}$offer great potential for quantum applications, but identifying new candidate…
cond-mat.mtrl-sci2025
Intrinsic structure of relaxor ferroelectrics from first principles
Xinyu Xu, Kehan Cai, Yubai Shi +2
We develop FIRE-Swap, a first-principles framework for sampling intrinsic compositional structures in complex perovskites with machine-learning interatomic potentials (MLIPs). Usin…