In the field of experiment, theory, modeling and simulation, the most noteworthy progressions applicable to steelmaking technology have been closely linked with the emergence of more powerful computing tools, advances in needful software's and algorithms design, and to a lesser degree, with the development of emerging computing theory. These have enabled the integration of several different types of computational techniques (for example, quantum chemical, and molecular dynamics, DFT, FEM, Soft computing, statistical learning etc., to name a few) to provide high-performance simulations of steelmaking processes based on emerging computational models and theories. This chapter overviews the general steps and concepts for developing a computational process model including few exercises in the area of steel making. The various sections of the chapter aim to describe how to developed models for various issues related to steelmaking processes and to simulate a physical process starts with the process fundaments. The examples include steel converter, tank vacuum degassing, and continuous casting, etc.