Electronic structure studies of clusters and cluster assemblies.
Discovery of multiple valence and magnetic cluster superatoms.
Designer Magnetic Superatoms,
J.U. Reveles, P. Claybone, A.C. Reber, S.N. Khanna, K. Pradhan, P. Sen, and M.R. Pederson Nat. Chem. 1, 310 (2009).
Research Highlights papers in Nature Chemistry1, 260 (2009),
and New Scientist, June 2009.
Featured on the Physorg., Sciencedaily, and more than 200 other websites.
Highly efficient (Cs8) superatom-based spin-polarizer,
H. He, R. Pandey, J.U. Reveles, S.N. Khanna, and S.S. Karna Appl. Phys. Lett. 95, 192104 (2009).
Studies of the electronic and structural principles that determine the stability of silicon and alkali clusters doped with transition metal atoms.
Cluster reactivity in studies of CO oxidation by transition metal oxides with potential catalytic applications.
Aromaticy and Electron delocalization in III-V Clusters.
Electron Delocalization in a Non-cyclic All-metal III-V Cluster
U. Gupta, J.U. Reveles, J.J. Melko, S.N. Khanna, and A.W. Castleman, Jr.
Chem. Phys. Lett. 480, 189 (2009).
Analytical skills, experience in scientific programming and development of new algorithms for the efficient calculation of large molecular systems.
