Dr Leo Lue

My research group uses statistical mechanics to understand and predict how the overall properties of a system, such as its dynamics or structure, are determined by the interactions between its constituent components. These systems can range from normal fluids composed of simple molecules to complex structured fluids, such as found in biological systems or many consumer and personal care products, where the constituent molecules can assemble to form intricate structures which can again organize to form larger structures. I am also interested how collisions between granules in a powder affects its overall structure and flow, such as in avalanches or pattern formation in sand dunes, and how bubble stability and interactions lead to the properties of foams. Currently, the interests of the group are focused on the role of electrostatics and its coupling to dispersion forces on the interactions and dynamics of colloidal particles (e.g., proteins, polyelectrolytes, micellar aggregates, etc.). A better understanding of the link between microscopic characteristics and macroscopic properties should allow the rational design of new materials and better prediction and control of the behavior of processes.

I use a combination of theory and computer simulation techniques to tackle these problems. The theoretical approaches range from integral equation and density functional theories, field theoretic methods, to classical solution thermodynamics and transport modeling. The simulation methods include non-equilibrium molecular dynamics and advanced Monte Carlo methods, as well as continuum modeling through finite difference and finite element methods.