Each row shows snap-shots along a transition path for a model of crystallization under shear (with the top moving right-ward). A novel adaptive enhanced sampling algorithm is used to optimize the path progressively (top to bottom).
Computer simulation of a model of a fluid under shear. From upper left to lower right the images show regions of high (white) and low (black) density developing and coalescing over time.
A view from the center of a coarse-grained RNA structure where each bead represents the center of mass of one nucleic acid and the bars represent bonds holding the polymer together. This representation allows fro faster simulation of the molecule than all-atom molecular dynamics but preserves the essential physics of the molecule.