A Python library to handle Kinetic Monte Carlo codes.

403 commits | Last update: August 11, 2022

Cite this software

Choose a version:
[[ releases.length > 0 ? releases[selectedIndex].doi : conceptDOI ]]
Copy to clipboard
Choose a reference manager file format:
Download file

What pyZacros can do for you

  • Provides a Python environment to run your favorite KMC code.
  • Seamlessly connected to ab-initio codes.
  • Support functions to handle outputs and plot results.

pyZacros is an Open Source project supported by the Netherlands eScience Center (NLeSC) and Software for Chemistry & Materials BV (SCM, and previously known as Scientific Computing & Modelling NV). The terms of the [LGPL-3.0 license] apply. As an exception to the LGPL-3.0 license, you agree to grant SCM a [BSD 3-Clause license]* to the contributions you commit on this Github or provide to SCM in another manner.

Read more
No tags available
Programming Language
  • Python
  • LGPL-3.0
  • BSD-3-Clause
Source code


  • Pablo Lopez-Tarifa
    Netherlands eScience Center
  • Nestor Aguirre
    Software for Chemicals & Materials
Contact person
Pablo Lopez-Tarifa
Netherlands eScience Center

Information for page maintainers

OAI-PMH metadata:
citation metadata:
no valid CITATION.cff found in any release.