Theoretical approaches that describe molecule-based phenomena at multiple length, time, and energy scales are becoming invaluable research tools across the disciplines.  Applications of theory to basic and applied challenges in molecular biology, nanoscience, biomedicine, and new-materials discovery are growing at a rapid pace.  At the same time, grand scientific challenges are driving the development of new theoretical methods that address the vast diversity of molecular structure and mechanism in systems composed of few atoms to millions of atoms and beyond.

The aim this theory group is to build an environment that will foster and enhance the theory and simulation research activity at Duke across disciplines and schools