OpenMM
One of our PhD students has contributed to the open-source software OpenMM with a Monte Carlo pressure control algorithm that allows for fully anisotropic unit cell fluctuations.
[Website OpenMM] https://openmm.org
[Website algorithm] http://docs.openmm.org/latest/api-python/generated/openmm.openmm.MonteCarloFlexibleBarostat.html#openmm.openmm.MonteCarloFlexibleBarostat
[Publication] https://doi.org/10.3389/fchem.2021.718920
ParAMS
ParAMS in the Amsterdam Modeling Suite (AMS) was developed by two CMM PhD students in collaboration with the company SCM.
[Website] https://www.scm.com/product/params
[Publication] https://doi.org/10.1021/acs.jcim.1c00333
CP2K
Several CMM members have contributed to the CP2K source code (EPR spectroscopy, force-field engine FIST, ...)
[Website] https://www.cp2k.org
ReaxFF
We have contributed with bug fixes and the ACKS2 charge model to ReaxFF, in the original source of van Duin and in the implementation of SCM.
[Website ReaxFF] https://www.engr.psu.edu/adri
[Website SCM] https://www.scm.com
Several open-source projects
We also make small contributions, e.g. bug fixes, to a broad spectrum of open-source projects.
NumPy: https://github.com/numpy/numpy