This article reviews the topic of computational thermodynamics and introduces the calculation of solidification paths for casting alloys. It discusses the calculation of thermophysical properties and the fundamentals of the modeling of solidification processes. The article describes several commonly used microstructure simulation methods and presents ductile iron casting as an example to demonstrate the ability of microstructure simulation. The predictions for the major defects of casting, such as porosity, hot tearing, and macrosegregation, are highlighted. Finally, several industry applications are presented.