The research in the Voth group involves theoretical and computer simulation studies of biomolecular and liquid state phenomena, as well as of novel materials. A primary goal of this effort is the development and application of new theory and computational methodologies to explain and predict the behavior of complex systems (see figure below). Such methods are developed, for example, to probe phenomena such as protein-protein self-assembly, membrane-protein interactions, biomolecular and liquid state charge transport, complex fluids and self-assembly. Specific examples of research projects include:
Multiscale Theory and Simulation: The Voth group has a key focus on the development of powerful multiscale theory and computational methods for complex biomolecular and other soft matter systems (see figure below). These multiscale methods include systematic coarse-graining approaches, mesoscopic modeling, and multiscale bridging between all of the relevant scales. Our multiscale methods are being applied to actin filaments, microtubules, biological membranes and membrane proteins, nucleic acids, peptide aggregation and self-assembly, viral capsids, liquids, and polymers.
