Speaker: Oğuz Gülseren, Department of Physics, Bilkent University
Title: Viewing the atoms by number crunching for understanding the material properties
Date/Time: May 23 Wednesday at 10:40
Place: SUNUM Building G-111
Tea, coffee and cookies @ 10:15 in SUNUM Hall.
Fully understanding of most of material properties needs an atomistic description from quantum mechanics. This is also true even for explaining experimental data, especially for the systems involving nanostructures. However, the solution of the Schrodinger equation for such a many-body system is complicated if it is not impossible. To this end, we present the investigation of several state-of-the-art systems from first-principles calculations based on the density functional theory. Examples will include Hall conductance of graphene, Li intercalation of carbon nanotubes and bilayer graphene for battery applications, nature of the polymer-nanotube interaction, and titania nanostructures for dye-sensitized solar cells