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VERSION:2.0
PRODID:-//University of Liverpool Computer Science Seminar System//v2//EN
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DTSTAMP:20260922T121153Z
UID:Seminar-MIF-1463@lxserverM.csc.liv.ac.uk
ORGANIZER:CN=Othon Michail:MAILTO:Othon.Michail@liverpool.ac.uk
DTSTART:20250626T140000
DTEND:20250626T150000
SUMMARY:MIF Series
DESCRIPTION:Jonathan (Teddy) McManus: Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets.\n\nThe fundamental model of any periodic crystal is a periodic set of points at all atomic centres. Since crystal structures are determined in a rigid form, their strongest equivalence is rigid motion (composition of translations and rotations) or isometry (also including reflections). The recent classification of periodic point sets under rigid motion used a complete invariant isoset whose size essentially depends on the bridge length, defined as the minimum `jump' that suffices to connect any points in the given set. We propose a practical algorithm to compute the bridge length of any periodic point set given by a motif of points in a periodically translated unit cell. The algorithm has been tested on a large crystal dataset and is required for an efficient continuous classification of all periodic crystals. The exact computation of the bridge length is a key step to realising the inverse design of materials from new invariant values. The talk is based on the paper accepted in Acta Cryst A, see the latest pdf.\n\nhttps://www.csc.liv.ac.uk/research/seminars/abstract.php?id=1463
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