Zacros is written in Fortran 2008 and is the result of long-term ongoing research and development activities at the lab of Prof. Michail Stamatakis at UCL Chemical Engineering, in collaboration with the Research Software Development Group at the UCL Advanced Research Computing Centre. Embedded in these activities are software development best practices, such as version control, continuous integration and issue tracking. The software implements modern standards and each release undergoes thousands of hours of rigorous testing with regression-, fixture- and unit-tests.
Learn more about the development of Zacros
The distribution of Zacros is managed by UCL Business, UCL's the technology transfer partner. The main computational engine of Zacros is distributed for free to academics, and we have also made available an optional graphical user interface (GUI). Trial versions are also available for both components (computational engine and GUI). Finally, Software for Chemistry and Materials provide both a GUI and Python library for setting up Zacros simulations, as well as DFT tools to calculate the necessary input.