Parallel accelerated dynamics

One important problem in simulating non-equilibrium processes is the development of methods for carrying out realistic simulations on extended length and time scales. There has been recent progress in this area with the development of a variety of methods for accelerating the simulation of activated processes via molecular dynamics by Art Voter and others. Some of these methods include hyperdynamics, parallel replica dynamics and temperature accelerated dynamics. In order to apply these methods to non-equilibrium simulations in thin-film growth and nanotechnology, we are developing parallel computational methods for carrying out accelerated dynamics simulations, with an emphasis on thin-film growth processes.

This research is funded by the National Science Foundation Information Technology Research (ITR) initiative and is also supported by the recent award of a Beowulf Cluster from the Ohio Supercomputer Center (J.G. Amar PI, C.E. Theodosiou and J. Bjorkman co-PIs) which has recently been installed in the Department of Physics & Astronomy at the University of Toledo.