Carol Hall’s research is driven by her fascination with molecules of interesting architectures and energetics, and by her desire to understand how these molecular features combine to yield complex mesoscopic or macroscopic features. Her primary tools in this effort are statistical thermodynamics, which allows estimation of thermophysical properties from knowledge of intermolecular forces, and computer simulation, which permits the visualization of systems on a molecular level. These techniques are used to model the self-assembly of soft materials including colloids, gels, lipids, and surfactants, and proteins whose aggregation is implicated in Alzheimer’s and other neurodegenerative diseases. A new research area is the design of short peptides to bind to specific biomolecular targets including RNA and proteins. Hall’s research is informed and enriched by interactions with experimental colleagues at NC State, and across the world.