Multiscale Modeling of Self-assembly

Self-assembly is the act of aggregating into a well-ordered structure. This process is inherently multiscale as the molecular properties dictate aggregation and ultimately the macroscopic properties of the assembled structure. The McCullagh group is developing cutting edge multiscale models to investigate this behavior in a variety of systems. These systems include peptides for energy materials applications and asphaltenes to understand floculation and ultimately precipitation behavior of these molecules in crude oil.