Electronic structure calculations based on density functional theory.
Molecular modeling of nanoscale materials for applications in energy
storage, molecular magnetism, electronic devices, drug delivery, and characterization methods.
News
Our paper "Lithium adsorption on zigzag graphene nanoribbons" accepted for publication in the Journal of Applied Physics.
Our work in Graphene Nanoribbons made it as Core Papers in the area (Check: Barone 2006,
Hod 2007, and Hod 2008).