Simulating Extended Time and Length Scales using Parallel Kinetic Monte Carlo and Parallel Accelerated Dynamics

Jacques Amar
University of Toledo
Department of Physics and Astronomy

A long-standing obstacle to the understanding of condensed-phase systems is that many important processes occur on time-scales that are not easily accessible with conventional methods such as molecular dynamics. In addition, simulations over extended length-scales are often necessary. We first discuss recent progress in developing and applying efficient algorithms for parallel kinetic Monte Carlo simulations of non-equilibrium processes. Applications to simulations of epitaxial growth and coarsening are discussed. We then discuss recent progress in extending the recently developed temperature-accelerated dynamics method to larger systems via parallel accelerated dynamics.

Back to Workshop II: Multiscale Modeling in Condensed Matter and Materials Sciences, including Mini-Workshop: Time Acceleration Methods in Atomistic Simulations