Understanding and designing emergent functional materials.
The Yang Research Group develops predictive computational frameworks to uncover structure–property relationships and accelerate the discovery of functional materials for electronics, spintronics, energy, and optical technologies.
From atomic-scale physics to predictive materials discovery.
The Yang Research Group seeks to connect atomic-scale physics, electronic structure, symmetry, and chemical complexity to emergent functionalities in materials. Our research aims to move beyond case-by-case materials studies toward predictive frameworks and general principles for understanding and designing complex functional materials.
Research themes
Emergent Phenomena
Understanding emergent phenomena in materials, such as chiral spin textures and collective ordering.
Structure–Property Coupling
Designing electronic and optical functionalities through structure and symmetry engineering.
Predictive Materials Discovery
Accelerating materials discovery through high-throughput screening and scalable computational frameworks.
Complex Materials Systems
Developing first-principles structure modeling approaches for amorphous, disordered, and interfacial materials.
Selected Updates
- 2026. Launch of the redesigned Yang Research Group website featuring scientific vision and research highlights.
- 2024. Congratulations to Yuheng Li on his tenure-track professor position at HKUST Guangzhou.
Computational Frameworks
The group develops computational frameworks for predictive materials discovery, integrating first-principles calculations, automated high-throughput workflows, structure modeling, and AI-assisted computational methodologies.