David Huebner, Benjamin T. Bomstad, and Brian G. Moore. Augustana College, Sioux Falls, SD
The liquid cluster phase has never been systematically followed to larger sizes. Previous work has suggested that at some point sublimation intervenes and the liquid state is not stable. To follow liquid clusters to larger and larger sizes, we have been developing methods for reducing computation time and new ways to analyze the cluster as it evolves. Neighbor lists, switching functions, and parallel computing in both dedicated rack mounted and non-dedicated computer lab environments were explored. In addition, the functionality of the molecular dynamics code was expanded from Lennard-Jones systems to also allow for the simulation of ionic systems.
Web Page:
savannah.nongnu.org/projects/clustersim/
Back to Physical Chemistry General Posters
Back to The 41st Midwest Regional Meeting (October 25-27 2006)