Dr. Cao’s research focuses on computational thermodynamics, kinetics, and integrated computational materials modeling based on the CALPHAD method. He is the architect and lead developer of Pandat software and has played a central role in its evolution across multiple generations. The first generation of Pandat established robust computational algorithms for multicomponent thermodynamic calculations. The second generation introduced a novel three-layer modular architecture, transforming Pandat from a thermodynamic calculation tool into a comprehensive materials simulation platform by integrating thermodynamics with diffusion, solidification, precipitation simulations, phase-field modeling, and multi-objective optimization within a unified environment.