State of the art numerical methods for the simulations of structural and electronic properties of materials.
Understand and use numerical methods to evaluate the structural and electronic properties of material
State os the art numerical methods for the evaluation of structural and electronic properties of matérials : semi-empirical methods (tight-binding) and Density Functional Theroy.
Presentation of the results of the numerical simulation performed by the students in a written report.
Computational Nanoscience. Applications for molecules, custers and solids K. Varga, J.A. Driscoll. Cambridge University Press 2011
Computational Physics. R.H. Landau, M.J. Paez, C.C Bordeianu. Wiley 2011
Electronic structure. Basic theory and practical applications. R.M. Martin. Cambridge University Press 2008