Professor Carol K. Hall's Research Group
The common theme running through our research is the principle that macroscopic-scale properties are a reflection of molecular behavior. Our primary tools in this research effort are:
- molecular thermodynamics, which allows estimation of thermophysical properties from knowledge of intermolecular forces
- computer simulation, which permits the visualization of systems on a molecular level
- Simulation of the competition between protein folding and aggregation.
- Molecular dynamics simulation of nanoparticle/copolymer composites
- Simulation of the separation of chiral drugs via classical resolution.
- Simulation of pattern recognition by biomimetic polymers