2 papers
cond-mat.mtrl-sci2025
Iterative learning scheme for crystal structure prediction with anharmonic lattice dynamics
Hao Gao, Yue-Wen Fang, Ion Errea
First-principles based crystal structure prediction (CSP) methods have revealed an essential tool for the discovery of new materials. However, in solids close to displacive phase t…
cond-mat.supr-con2024
Ambient pressure high temperature superconductivity in RbPH facilitated by ionic anharmonicity
ÄorÄe DangiÄ, Yue-Wen Fang, Tiago F. T. Cerqueira +3
Recent predictions of metastable high-temperature hydride superconductors give hope that superconductivity at ambient conditions is within reach. In this work, we predict RbPH…