UCLB logoXIP logoThe Zacros software collection consists of Zacros, which is the "main engine" for the kinetic Monte Carlo (KMC) calculations, and Zacros-post, which is the graphical user interface (GUI) for post-processing and visualising KMC results. Both are distributed by XIP, the express licensing portal powered by e-Lucid developed by UCL Business (specific links below).

SCM logoIn addition, as of version 3.01, Zacros and Zacros-post are provided by Software for Chemistry and Materials (SCM), as part of the Amsterdam Modelling Suite (AMS). In particular, SCM offers both a GUI and an open-source Python library for setting up Zacros simulations (as well as DFT tools to calculate the necessary input).

More details can be found below.


To obtain the current version of Zacros via XIP, please register first by clicking "Create account" on the following page:


After filling out the registration form, you will receive an email with a link that will allow you to confirm registration. After logging in to your account you can obtain Zacros from the following link:


You can "Add to Basket" the appropriate license (Commercial or Academic) and you can then complete the checkout.

The software is licensed freely to academics. Commercial licenses have to be obtained for business purposes. If you are unsure whether Zacros suits your needs, you are welcome to obtain the 30-day trial version:


The previous major release of Zacros (version 2.0) can be accessed from the following links, for the full and the evaluation version, respectively:




To learn more about the features and functionalities of Zacros-post and see representative snaphots, you can check out the tutorial on post-processing Zacros output. The current release, version 1.0, can be obtained from XIP via the following link (assuming a user already created an account on XIP using the link provided earlier):


The process for ordering Zacros-post is similar to the one described above for Zacros. Zacros-post comes in the the form of executable files, which are provided for two platforms, Windows and Linux. When the program is run for the first time, it will prompt you to generate a license request file, which will have to be e-mailed to us, so that your license will be generated (the pertinent e-mail address along with detailed instructions are provided in the program's messages). Please note that the licenses are issued for a specific machine (Workstation, PC, laptop etc.) and they are not transferable.

Snaphot of Zacros-post


Zacros and Zacros-post bundle with AMS by SCM

The Amsterdam Modeling Suite (AMS) incoporates the following kinetic Monte Carlo tools based on Zacros:

  • The Zacros program itself
  • pyZacros, a Python library for running and analysing Zacros simulations
  • AMSkinetics,: a GUI for setting up Zacros calculations (jobs can be submitted via AMSjobs)
  • Zacros-post, installable via the SCM package manager.

For more information or to request a trial license for AMS, please consult the following links:




AMS GUI for Zacros lattice generation

Thank you for your interest in Zacros and Zacros-post, and we hope that you find them useful for your purposes.

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