Our group aims to explore how molecular behavior dictates macroscopic-scale properties of systems. We utilize statistical thermodynamics to estimate thermophysical properties from computer simulations on a molecular level. We model self-assembly of soft materials such as surfactants, proteins, lipid and polysaccharides.

Since there is no single technique that can span the whole range of typical time and length scales relevant for biomolecular function and self-assembly behavior, we are developing new multi-scale simulation techniques and models to characterize these systems at multiple time and length scales. The laboratory's research focuses on multiscale simulations methods, molecular aggregation processes, protein folding/misfolding and stability, protein-membrane interactions, molecular basis of Huntington’s disease, the mode of action of antimicrobial peptides in targeting cancer cells and self-assembly of surfactants in ionic liquids. 

We belong to the Fischell Department of Bioengineering, Biophysics and Chemical Physics Programs. We invite you to take a closer look at our current research projects. Please feel free to contact us if you would like to learn more.