11 citations · 54 across the 16 of their papers we have counts for
4 papers · 1 filter
Computing the bridge length: the key ingredient in a continuous isometry classification of periodic point sets
Jonathan McManus, Vitaliy Kurlin
The 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 equivalenc…
Complete and bi-continuous invariant of protein backbones under rigid motion
Olga Anosova, Alexey Gorelov, William Jeffcott +2
Proteins are large biomolecules that regulate all living organisms and consist of one or several chains. The primary structure of a protein chain is a sequence of amino acid residu…
The importance of definitions in crystallography
Olga Anosova, Vitaliy Kurlin, Marjorie Senechal
This paper was motivated by the articles "Same or different - that is the question" in CrystEngComm (July 2020) and "Change to the definition of a crystal" in the IUCr newsletter (…
Accelerating Material Property Prediction using Generically Complete Isometry Invariants
Jonathan Balasingham, Viktor Zamaraev, Vitaliy Kurlin
Periodic material or crystal property prediction using machine learning has grown popular in recent years as it provides a computationally efficient replacement for classical simul…