VoroTop: Voronoi cell topology visualization and analysis toolkit

EA Lazar, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 26, 015011 (2018).

DOI: 10.1088/1361-651X/aa9a01

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.

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