2 papers
cond-mat.mtrl-sci2026
Selective Random Structure Search (SRSS): Unbiased Exploration of Polymorphs in Crystals
Jiexi Song, Diwei Shi, Aixian She +2
Crystal structure prediction has traditionally relied on prototype-based seeding, approaches that often bias sampling toward known low-energy basins and overlook metastable polymor…
cond-mat.mtrl-sci2025
Ab initio Approach to Collective Excitations in Excitonic Insulators
Fengyuan Xuan, Jiexi Song, Zhiyuan Sun
An ab initio approach is presented for studying the collective excitations in excitonic insulators, charge/spin density waves and superconductors. We derive the Bethe-Salpeter-Equa…