@article{39116,
  keywords = {surface, Desorption},
  author = {Makeev and Maroudas and Panagiotopoulos and Kevrekidis},
  title = {Coarse bifurcation analysis of kinetic Monte Carlo simulations: A lattice-gas model with lateral interactions},
  abstract = { We present a computer-assisted study of "coarse{\textquoteright}{\textquoteright} stability/ bifurcation calculations for kinetic Monte Carlo simulators using the so-called coarse timestepper approach presented in A. G. Makeev, D. Maroudas, and I. G. Kevrekidis, J. Chem. Phys. 116, 10083 (2002). Our illustrative example is a model of a heterogeneous catalytic surface reaction with repulsive adsorbate- adsorbate interactions and fast diffusion. Through numerical continuation and stability analysis, we construct one- and two-parameter coarse bifurcation diagrams. We also discuss several computational issues that arise in the process, the most important of which is the "lifting{\textquoteright}{\textquoteright} of coarse, macroscopic initial conditions (moments of adsorbate distributions! to fine, microscopic initial conditions (distributions conditioned on these moments). (C) 2002 American Institute of Physics. },
  year = {2002},
  journal = {Journal of Chemical PhysicsJournal of Chemical Physics},
  volume = {117},
  pages = {8229-8240},
  month = {11/2002},
  isbn = {0021-9606},
  language = {English},
}