Understanding of thermodynamic stability of individual phases and processes of their mutual transformation is important condition for design of new complex materials with enhanced properties. Theoretical assumptions can be verified with help of advanced computer modelling before experimental preparation of studied materials. Some of computational methods used experimental data from simple systems like in the case of method for modelling of phase diagrams CALPHAD. Modelling can be based also on fundamentals of quantum mechanics (ab initio methods) and the no experimental data are required. In this course students obtain general knowledge about advanced applications of both method mentioned above and adopt practical experience of of their using, which can utilize within in their thesis.