The research presented in the monograph is devoted to numerical approaches to identification of effective solutions in the field of metallurgy and metalworking production. The approaches to obtain the optimal combination of chemical composition and heat treatment to achieve certain properties are fundamental for an effective project. They are the basis for the establishment or the improvement of new alloys and the associated with them costs for their obtaining and processing. The research will focus on creating opportunities for prediction of mechanical properties as a function of the chemical composition and the heat treatment parameters taking into account the appropriate boundary conditions. The solutions for predicting properties as a function of the composition and the processing parameters are defined for specific customer requirements. This is accomplished by numerical procedures that determine the optimal composition for a number of criteria with established advantages for the significance of the results. The accuracy of the solution is determined by the reliability of the applied experimental data.