Alenka Luzar of Virginia Commonwealth is supported by the Theoretical and Computational Chemistry Program to perform research using statistical mechanical methods to gain a detailed understanding of hydrophobic phenomena in aqueous systems. The goal of this research is to provide a molecular view of the factors that control water interfacial thermodynamic and kinetic properties. Specific areas of interest include the effects of external electric fields and their relation to electrowetting, the role of dissolved gases in nanoconfined spaces, and the influence of surface texture and its relation to superhydrophobicity. The research uses a combination of theory and simulation techniques in statistical mechanics on a molecular and coarse-grained level. Control and manipulation of water properties at the nanoscale has the potential for broad impact in basic science and technology. The methods under development will have impact on disciplines beyond chemistry such as materials science, engineering and biology. The PI is developing a new course for undergraduate honors students on Soft Matter to train a broader base of students in condensed matter chemistry.
