University of North Carolina at Charlotte
Computational materials research and database infrastructure
The MMI Lab at UNC Charlotte develops computational approaches for materials discovery, with emphasis on data-driven modeling, high-throughput screening, and crystal-structure analysis. This site serves as the group portal for searchable research datasets and publications.
Dr Qiang Zhu
Interim Director of BATT CAVE, Associate Professor
Mechanical Engineering and Engineering Science
Access actively maintained databases for browsing, querying, and structure visualization.
AI-assisted carbon crystal database with interactive structure browsing and query tools.
ElectrideFlow datasets with binary and ternary systems, stability filters, and structure inspection.
High-energy organic crystal structures curated for ML potential benchmarking and visualization.
Rare-earth transition-metal magnetic materials from AI generation, ML screening, and spin-polarized DFT validation.
Log-first Ab-PXRD-Solver run records with metrics, plots, logs, and CIF visualization when available.