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Periodic point sets model all solid crystalline materials (crystals) whose atoms can be considered zero-sized points with or without atomic types. This paper addresses the fundamental problem of checking whether claimed crystals are novel,…

Computational Geometry · Computer Science 2025-10-03 Daniel E Widdowson , Vitaliy A Kurlin

This book introduces the new research area of Geometric Data Science, where data can represent any real objects through geometric measurements. The first part of the book focuses on finite point sets. The most important result is a complete…

Metric Geometry · Mathematics 2025-12-05 Olga D Anosova , Vitaliy A 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 simulation methods. A crucial first step for any of these…

Machine Learning · Computer Science 2024-05-08 Jonathan Balasingham , Viktor Zamaraev , Vitaliy Kurlin

The fundamental model of a periodic structure is a periodic point set up to rigid motion or isometry. Our recent paper in SoCG 2021 defined isometry invariants (density functions), which are complete in general position and continuous under…

Materials Science · Physics 2021-05-12 Daniel Widdowson , Marco Mosca , Angeles Pulido , Vitaliy Kurlin , Andrew I Cooper

The discovery of topological insulators has reformed modern materials science, promising to be a platform for tabletop relativistic physics, electronic transport without scattering, and stable quantum computation. Topological invariants are…

Strongly Correlated Electrons · Physics 2019-08-14 Jorrit Kruthoff , Jan de Boer , Jasper van Wezel

The objective of this paper is to derive the essential invariance and contraction properties for the geometric periodic systems, which can be formulated as a category of differential inclusions, and primarily rendered in the phase…

Systems and Control · Electrical Eng. & Systems 2021-04-30 Chen Qian , Yongchun Fang

This paper rigorously solves the challenging problem of recognizing periodic patterns under rigid motion in Euclidean geometry. The 3-dimensional case is practically important for justifying the novelty of solid crystalline materials…

Metric Geometry · Mathematics 2025-10-30 Olga Anosova , Daniel Widdowson , Vitaliy Kurlin

Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent…

Other Condensed Matter · Physics 2015-11-18 Emanuel A. Lazar , Jian Han , David J. Srolovitz

The inevitable noise in real measurements motivates the problem to continuously quantify the similarity between rigid objects such as periodic time series and proteins given by ordered points and considered up to isometry maintaining…

Computational Geometry · Computer Science 2022-07-19 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 equivalence is rigid motion (composition of translations and…

Computational Geometry · Computer Science 2026-01-01 Jonathan McManus , Vitaliy Kurlin

Topological defects (TDs) are crucial for understanding important physical properties of crystalline materials including mechanical failure, ion transport, and two-dimensional melting. This concept has not translated to disordered materials…

Materials Science · Physics 2026-04-09 Matteo Baggioli , Michael L. Falk , Walter Kob

The topology of periodic spaces has attracted a lot of interest in recent years in order to study and classify crystalline structures and other large homogeneous data sets, such as the distribution of galaxies in cosmology. In practice,…

Algebraic Topology · Mathematics 2025-05-20 Adam Onus , Primoz Skraba

We study the topology associated with physical vector and scalar fields. A mathematical object, e.g., a ball, can be continuously deformed, without tearing or gluing, to make other topologically equivalent objects, e.g., a cube or a solid…

High Energy Astrophysical Phenomena · Physics 2021-01-12 Amir Jafari , Ethan Vishniac

Liquid crystals are assemblies of rod-like molecules which self-organize to form mesophases, in-between ordinary liquids and anisotropic crystals. At each point, the molecules collectively orient themselves along a privileged direction,…

Soft Condensed Matter · Physics 2023-05-03 Sébastien Fumeron , Bertrand Berche

Periodic frameworks with crystallographic symmetry are investigated from the perspective of a general deformation theory of periodic bar-and-joint structures in $R^d$. It is shown that natural parametrizations provide affine section…

Metric Geometry · Mathematics 2011-10-24 Ciprian S. Borcea , Ileana Streinu

The structure-property hypothesis says that the properties of all materials are determined by an underlying crystal structure. The main obstacle was the ambiguity of conventional crystal representations based on incomplete or discontinuous…

Computational Physics · Physics 2024-05-08 Jonathan Balasingham , Viktor Zamaraev , Vitaliy Kurlin

In the present paper, as we did previously in [7], we investigate the relations between the geometric properties of tilings and the algebraic properties of associated relational structures. Our study is motivated by the existence of…

Metric Geometry · Mathematics 2010-02-19 Francis Oger

A textile structure is a periodic arrangement of threads in the thickened plane. A topological classification of textile structures is harder than for classical knots and links that are non-periodic and restricted to a bounded region. The…

Geometric Topology · Mathematics 2020-07-30 Matt Bright , Vitaliy Kurlin

Topological phases of matter have sparked an immense amount of activity in recent decades. Topological materials are classified by topological invariants that act as a non-local order parameter for any symmetry and condition. As a result,…

Materials Science · Physics 2020-12-08 Oded Zilberberg

We study the rotational structures of aperiodic tilings in Euclidean space of arbitrary dimension using topological methods. Classical topological approaches to the study of aperiodic patterns have largely concentrated just on translational…

Algebraic Topology · Mathematics 2021-07-01 John Hunton , James J. Walton
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