Research
My research focuses on AI-driven materials discovery, with a particular emphasis on inverse design using generative models. I am also interested in MLIPs, agentic AI, and computational simulations including DFT and MD.
Current Featured Projects
MOFFUSION (Nature Communications, 2025)
Inverse Design Diffusion Models Generative AI
F-COF for K+ Ion Battery (Advanced Energy Materials, 2023)
Density Functional Theory Electronic Structure