Simulations of self-assembly

Through the development of numerical methods that target time scales of interest, in the past year the structure and permeability of lipid bilayers have been probed by molecular dynamics (MD), the phase diagrams of idealized surfactants in water and oil have been computed, the effect of shear on the orientation of lamellar block copolymers has been simulated, and progress has been made toward the modeling of protein folding.