MonteCoffee Documentation

Welcome to the documentation of MonteCoffee!

For a general idea of what the code does and how it works, see Code overview.

For a minimal working example of how to perform kinetic Monte Carlo with MonteCoffee, see Quick start.

Contents:

• Installation
  • Download
  • Setup
  • Dependencies
• Code overview
  • What is kinetic Monte Carlo?
  • Structure of modules
  • Implicit assumptions
  • Code output
• Tutorials
  • Quick start
  • Adsorption of atomic species A on surface
  • Dissociative Adsorption
  • Adsorption and reaction of species A and B2
  • CO oxidation on Pt(111)
  • Parallel simulations
  • Special site-rules
• Special features
  • Accelerating kMC
  • Adsorbate-adsorbate interactions
  • Calculating a turnover frequency
  • Restarting your simulation
• Options
• User interface (API)
  • NeighborKMC package
• How to cite
• Scientific articles using MonteCoffee
• Additional reading