Our research focuses on the development and application of new statistical mechanical theories and computational approaches combined with simulation techniques to describe physical phenomena in a broad range of applications relevant to chemistry, physics, biology and engineering. The areas of interest include the study of the molecular mechanisms governing ligand-receptor affinities and molecular recognition for elucidating the structure, function, and physiological roles of: 1- biomolecules immersed in aqueous environments; 2- ion diffusion and selectivity through realistic models of biological ion channel proteins; 3- nanoparticles interacting with surfaces (membranes): 4- drug delivery therapies and aggregation of highly charged macroions
