Study of the influence of structural defects in the properties of carbon nanotub...

Theoretical study of sensors based on CNx nanotubes with ab initio calculations

Theoretical studies of teh dynamical evolution of gold nanowires with and without...

Electronic properties of semiconductor nanowires

Study of the Influence of Localized Vibrational Modes in Charge Transport Properties...

Development of new approximations for ab initio simulations

Monte Carlo method using AB initio total energy calculation

Theoretical study of Si and Ge self-diffusion in the disordered alloy of 'Si IND.1-X'...

Molecular electronics investigation: a first principles study

Theoretical study of the phase transition between diamond and 'beta'-'SN' structures...