Understanding how crystals grow at the molecular scale is the key to controlling crystal performance and functionality. With the advent of scanning probe microscopies the molecular details of surface topography are now accessible and, when coupled with the crystal habit, provide a wealth of experimental information that leads to this understanding. Our software is designed to help extract this information and maximise your knowledge of how your crystal system is behaving and, thereby, tailor crystallisation conditions.
We have developed a Monte Carlo and visualisation software, CrystalGrower, that is able to simultaneously simulate both crystal habit and nanoscale surface topography. This is achieved for generic crystal forms under non-equilibrium conditions, with the ability to add growth modifiers and to incorporate dislocations and defects. The original concept is described in Nature, 2017, 544, 456–459 and Chem. Sci., 2021, 12, 1126–1146
A simple graphical user interface is provided to help the bench scientist to use the software in a straightforward manner. The goal is not only to understand the crystal-growth mechanism better but also to design new experimental methodologies that can be trialled in the laboratory. Whether your interest is pharmaceuticals, minerals, framework crystals, metals or other crystal systems our software will apply.