title: Identification of structure in condensed matter with the topological cluster classification.
abstract: We describe the topological cluster classification (TCC) algorithm. The TCC detects local structures with bond topologies similar to isolated clusters which minimise the potential energy for a number of monatomic and binary simple liquids with m ≤ 13 particles. We detail a modified Voronoi bond detection method that optimizes the cluster detection. The method to identify each cluster is outlined, and a test example of Lennard-Jones liquid and crystal phases is considered and critically examined.
authors.affiliation: Bristol Centre for Complexity Sciences, University of Bristol, Bristol BS8 1TS, United Kingdom.
authors.forename: Alex
authors.initials: A
authors.lastname: Malins
authors.affiliation: Research School of Chemistry, The Australian National University, Canberra, ACT 0200, Australia.
authors.forename: Stephen R
authors.initials: SR
authors.lastname: Williams
authors.affiliation: School of Mathematics, University of Bristol, University Walk, Bristol BS8 1TW, United Kingdom.
authors.forename: Jens
authors.initials: J
authors.lastname: Eggers
authors.affiliation: School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom.
authors.forename: C Patrick
authors.initials: CP
authors.lastname: Royall