Learning outcomes

State of the art numerical methods for the simulations of structural and electronic properties of materials.

 

Goals

Understand and use numerical methods to evaluate the structural and electronic properties of material

Content

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.

Assessment method

Presentation of the results of the numerical simulation performed by the students in a written report.

Sources, references and any support material

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

 

Language of instruction

Français