2 papers
cond-mat.mtrl-sci2026
Crystal-structure design by agentic AI in a language of motifs
Dinh-Khiet Le, Minh-Quyet Ha, Hong-Phuc Vu-Dinh +3
Data-driven materials discovery interpolates more reliably than it extrapolates and seldom reaches new structure types. We present MatEvolve, an agentic-AI framework designing crys…
cs.LG2025
Synergistic Fusion of Multi-Source Knowledge via Evidence Theory for High-Entropy Alloy Discovery
Minh-Quyet Ha, Dinh-Khiet Le, Duc-Anh Dao +6
Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient explorat…