Topic: AI4Science
This project focuses on developing diffusion probabilistic models to first understand the relationship between chemistry/structure and material properties, then enable the inverse design of new materials with specific properties. This project currently supports my postdoctoral research position.
My major contributions include:
- I pioneered the application of diffusion models for material generation (published in DOT), which inspired this project.
- I am currently designing and implementing diffusion models specifically for glass structures to facilitate the inverse design of novel materials.