2 papers
cond-mat.mtrl-sci2026
GEWUM: General Exploration Workflow for the Utopia of Materials: A Unified Platform for Automated Structure Generation, Selection, and Validation
Jiexi Song, Aixian She, Changpeng Song +3
The fragmented landscape of existing computational tools often hinders the seamless integration of large-scale structure prediction with rigorous stability validation. To address t…
cond-mat.mtrl-sci2025
Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction
Jiexi Song, Diwei Shi, Fengyuan Xuan +1
Chiral inorganic crystals, particularly semiconductors with Weyl points near the band edges or semimetals hosting Weyl points at the Fermi level, have attracted considerable intere…