Research

Interfacial Phenomena

Interfaces play an important role in science and technology occurring in solid-liquid, solid-gas as well as more complex systems encountered in surfactant mesophases and biomolecular systems. Research in our group is focused on primarily understanding molecular and physicochemical properties of these interfaces. We use modeling techniques ranging from ab initio methods to study interactions at the electronic scale, molecular modeling to study the atomistic and mesoscale, as well as continuum models to study heat and mass transport. When a fluid is confined to nanometer dimensions or restricted due to the presence of a surface, the structure and dynamics of the fluid are considerably altered. We are interested in understanding the heterogeneous state of this interfacial fluid; solid, liquid or glass. This has implications while developing nanofluidic devices for transport as well as in unraveling forces between surfaces, with implications in understanding friction and lubrication. Fluids confined in microporous materials are important in the area of hydrogen or methane gas storage for transportation and carbon-dioxide capture. Here we use Monte Carlo simulations to assess a wide variety of materials such as zeolites, metal organic frameworks (MOFs) and porous carbons to study their potential as storage materials.

Biological Membranes

Biological membranes which are a critical component of all living systems is yet another example of a dynamic soft interface. Using a combination of theoretical, simulation and experimental methods, research in this area is focused on understanding the interactions of pore forming toxins and nanoparticles on supported bilayer membrane platforms and living cells. The precise mechanism for pore formation and ensuing effects on the membrane mechanical properties or mechanical stability of cells that undergo lysis is poorly understood. The interactions of proteins and nanoparticles with bilayer membranes have implications in developing novel drug and gene therapies. In collaboration with faculty in biology and physics, we study the effects of protein mutagenesis and dynamics of membrane-protein interactions on supported bilayer platforms using high resolution optical microscopy techniques.