Inside Cover, Volume 34, Issue 5
Article first published online: 23 JAN 2013
Copyright © 2012 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 5, pages iii–iv, 15 February 2013
How to Cite
(2013), Inside Cover, Volume 34, Issue 5. J. Comput. Chem., 34: iii–iv. doi: 10.1002/jcc.23240
- Issue published online: 23 JAN 2013
- Article first published online: 23 JAN 2013
- Cited By
Many approximate accelerated stochastic simulation methods exist that can provide a means of employing Kinetic Monte Carlo techniques to model chemical kinetics. The drawback in using such methods is that sometimes the population of the reactant species present during the simulations becomes negative, leading to unphysical results. This is due to the manner in which the change in time during the reactions is handled by the stochastic simulation methods in such systems. The work by Shantanu Kadam and Kumar Vanka on page 394 discusses a means of avoiding this problem by combining the representative reaction approach (RRA) based methodology with the stochastic simulation algorithm (SSA) and the binomial method.