VoroTop: Voronoi Cell Topology Visualization and Analysis Toolkit

TL;DR

VoroTop is an open-source toolkit that leverages Voronoi topology to analyze local atomic structures, including complex and high-temperature systems, enabling automated and previously difficult analyses.

Contribution

It introduces VoroTop, a novel software that applies Voronoi topology for detailed analysis of atomic structures, including complex and dynamic systems.

Findings

Effective analysis of high-temperature atomic systems.

Characterization of complex structures like grain boundaries.

Automated analysis capabilities for previously challenging systems.

Abstract

This paper introduces a new open-source software program called VoroTop, which uses Voronoi topology to analyze local structure in atomic systems. Strengths of this approach include its abilities to analyze high-temperature systems and to characterize complex structure such as grain boundaries. This approach enables the automated analysis of systems and mechanisms previously not possible.