I am Cao Bin, working at the interface of computational materials science and artificial intelligence. I obtained my B.E. from Beijing University of Chemical Technology, and I am currently affiliated with the Hong Kong University of Science and Technology (Guangzhou), where I conduct research under the supervision of Prof. ZHANG Tongyi.
My current research aims to integrate machine learning methodologies with materials physics, with a particular emphasis on:
- Crystallographic structure analysis and simulation via diffraction-based methods
- AI-assisted phase identification from experimental X-ray diffraction (XRD) patterns
- Bayesian optimization frameworks for efficient material design and discovery
- Generative models for hypothetical crystal structures with target properties
I am a strong proponent of open science, advocating for transparency, reproducibility, and community collaboration in computational research.
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