On the representation of operators in bases of compactly supported wavelets
SIAM Journal on Numerical Analysis
Monte Carlo algorithms for complex surface reaction mechanisms: efficiency and accuracy
Journal of Computational Physics
Spectral methods for mesoscopic models of pattern formation
Journal of Computational Physics
Temporal acceleration of spatially distributed kinetic Monte Carlo simulations
Journal of Computational Physics
Mesoscopic simulation of Ostwald ripening
Journal of Computational Physics
Revaluation of the first-order upwind difference scheme to solve coarse-grained master equations
Journal of Computational Physics
A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition
Journal of Computational Physics
Limit theorems for hybridization reactions on oligonucleotide microarrays
Journal of Multivariate Analysis
Optimal design and operation of a multiscale GaAs/AlAs deposition process
ACC'09 Proceedings of the 2009 conference on American Control Conference
SIAM Journal on Numerical Analysis
Dimension reduction method for ODE fluid models
Journal of Computational Physics
Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems
Journal of Computational Physics
Hi-index | 31.48 |
In this paper we present a new class of coarse-grained stochastic processes and Monte Carlo simulations, derived directly from microscopic lattice systems and describing mesoscopic length scales. As our primary example, we mainly focus on a microscopic spin-flip model for the adsorption and desorption of molecules between a surface adjacent to a gas phase, although a similar analysis carries over to other processes. The new model can capture large scale structures, while retaining microscopic information on intermolecular forces and particle fluctuations. The requirement of detailed balance is utilized as a systematic design principle to guarantee correct noise fluctuations for the coarse-grained model. We carry out a rigorous asymptotic analysis of the new system using techniques from large deviations and present detailed numerical comparisons of coarse-grained and microscopic Monte Carlo simulations. The coarse-grained stochastic algorithms provide large computational savings without increasing programming complexity or the CPU time per executed event compared to microscopic Monte Carlo simulations.