- Using theoretical and computational tools such as the tight-binding method, transfer matrix method, non-equilibrium Green function method etc. study the electronic structures, electronic transport properties, study the effects of magnetic field, grained boundaries and mechanical deformation on properties of graphene material, graphene quantum dot systems, graphene nano ribbons etc. towards the design of functional nano-electronic devices based on graphene.
- Develop computational methods for materials research. Apply the density functional theory and ab-initio calculation methods to study structural properties of nano-crystals and polymer crystals.
- Investigate the effects of surface plasmon in low-dimensional, nano and bio-nano systems.
- Using computer simulation methods, theoretical modeling and calculation to study the protein folding problem, the effects of cellular environment on protein folding, protein aggregation and amyloid fibril formation, DNA condensation, phase behaviors of biopolymers, shapes of biological membranes and ribbons.