Monte-Carlo Simulator for Polymerisation Kinetics
We developed a new method to improve the performance of simulators based on Monte-Carlo methods and used it to implement a simulator for polymerisation kinetics that includes support for star polymers. Our performance advantage is due to combining code specialisation with parallelisation (suitable for PC clusters, SMP, and multicore hardware).
Papers and source code
Two paper describing our approach to high-performance Monte-Carlo simulations are available (one aimed at a computing audience and one aimed at chemists) as well as Moreover, the source code of the simulator generator is available.
NB: The above version of the simulator generator does not read
the reaction system from an
This work was funded by the UNSW FRGP High Performance Parallel Computing for Complex Polymer Architecture Design.
|• Copyright 2007 Manuel M T Chakravarty • Last modified: Sun Oct 1 18:05:32 EDT 2006 •|