My research interests  encompass a variety
                                                     of aspects in materials science spanning over different length
                                                     and time scales. I use first principles electronic structure
                                                     calculations ( Density Functional Theory) to study surface
                                                     properties (relaxations, chemisorption etc ..) and to gain
                                                     insight into the nature of the environment dependent interatomic
                                                     bonding.

                                                     I use  model potentials to perform extensive studies of
                                                     temperature/time dependent properties of complex/low symmetry systems.
                                                     These studies include:

                                                     1) Structure, vibrational dynamics and thermodynamics
                                                     of stepped and kinked surfaces, adsorbates, adsorbed islands and nanocrystals
                                                     of several metals. These calculations are performed using a real space
                                                     Green's function technique and a slab method

                                                     2) Temperature dependent structural changes
                                                     near and at metal surfaces using Molecular Dynamics (MD) simulations and
                                                     free energy minimizations in the quasi-harmonic approximation.

                                                     3) (MD) simulations to study atom manipulations on surfaces
                                                     using STM and AFM tips and the changes of the landscape
                                                     of the potential energy surface caused by the tip.

                                                     4) Structure dynamics and thermodynamics of surfaces of alloys
                                                     for the ordered and disordered surfaces.
                                                     Segregation profiles at and near alloy surfaces using Monte Carlo (MC)
                                                     simulations.

                                                     Finally, to bridge the structure/length and time gaps between accurate
                                                     ab initio calculations and real applications, I'm also interested
                                                     in the building of robust model interatomic potentials.

                                                     Visit my webpage at : www.phys.ksu.edu/personal/a0kara01