About

VoroTop is a software package for analyzing structure of spatial point sets in two and three dimensions through consideration of topological features of the Voronoi cells of the points. The efficacy of this approach results from its coarse-graining of structural data in a natural configuration space, instead of in the image of this space under a continuous mapping, which has notable theoretical restrictions. More information about the method can be found on the Theory page.

This approach results in robust, structure-independent tools that can characterize and identify structure in ordered and disordered systems. One particular strength is its ability to visualize defects in high-temperature crystals, at up to 95% of their melting temperature (conventional methods often have difficulty above 50%). More about this on the Examples page.

Please be in touch with questions, suggestions, and ideas for collaborations.