June 30, 2014
An image describing principal ideas of the new module of MBN Explorer, devoted to an extension of the kinetic Monte Carlo algorithm to a three-dimensional space, has been chosen as a cover image for a recently published issue of Journal of Computational Chemistry.
The published paper describes an extension of MBN Explorer aiming to provide a universal approach to study self-assembly phenomena in biology and nanoscience. In particular, this extension involves a highly-parallelized module of MBN Explorer that allows simulating stochastic processes using the kinetic Monte Carlo approach in 3D. The computational side of the developed code, its efficiency, and its application for studying different systems are discussed in the paper.
Further details are provided at the following webpage: http://onlinelibrary.wiley.com/doi/10.1002/jcc.23613/abstract