Research Interests

Dr. Bijan K. Rao


Chemical Physics, Condensed Matter Physics, Many-body Theory
Science and engineering at the atomic scale is being used to design materials with special properties. Such materials may be prepared out of pure elements or from suitable combinations of different elements. The properties of these small entities are regulated through their structural symmetry. These can find use in the production of hydrogen storage devices, supercatalysts, chemical lasers, microscopic magnetic recording devices, high temperature superconductors, and many more such applications.

Ab initio quantum mechanical methods are used for theoretical simulations of these systems and for studying their structures, energies, reactivity, and electronic properties. Effects of temperature, electric and magnetic fields, and impurities are investigated.

A few examples of systems being studied are alkali and transition metal clusters, their interactions with different molecules, interaction of atomic clusters and molecules with metal surfaces, and defects in conducting polymers.

Publications with Nanostructured Materials Consortium


Department Faculty
Physics Homepage.