kmos
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  • Tutorials
  • Topic Guides
    • The Concept of Kinetic Monte Carlo
    • Modelling Workflows
    • The kmos data model
    • How the kmos kMC algorithm works
    • The otf Backend
    • The Process Syntax
    • The Site/Coordinate Syntax
    • Developer’s guide
  • Reference
  • Trouble Shooting
  • Frequently Asked Questions
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Topic Guides¶

The conceptual parts of this topic guide predate the kmos paper (arXiv). Please refer to the paper for a thorough background on kMC and lattice kMC on crystal surfaces. The more technical parts stated below might still be useful for using kmos.

  • The Concept of Kinetic Monte Carlo
    • Why use Kinetic Monte Carlo?
    • Basic Kinetic Carlo Algorithm
    • Justification of the Algorithm
    • Further Reading
  • Modelling Workflows
    • kMC Modeling
    • kmos workflows
  • The kmos data model
  • How the kmos kMC algorithm works
    • The kmos O(1) solver
  • The otf Backend
    • Reference
    • Example
    • Advanced OTF rate expressions
    • Running otf-kmos models
    • Known Issues
  • The Process Syntax
    • Adsorption
    • Diffusion
    • Avoid Double Counting
    • Taking It Home
  • The Site/Coordinate Syntax
    • Manual generation
    • Advanced Coordinate Techniques
    • Taking it home
  • Developer’s guide
    • Introduction and disclaimer
    • Some nomenclature.
    • The three backends
    • The structure of the FORTRAN code.
    • Key data-structures
    • One kmc step in kmos
    • The code generation routines
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© Copyright 2009-2013, Max J. Hoffmann. Revision d6360ec8.

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