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Protein structure is generally conceptualized as the global arrangement or of smaller, local motifs of helices, sheets, and loops. These regular, recurring secondary structural elements have well-understood and standardized definitions in…

Biomolecules · Quantitative Biology 2009-11-11 Isaac A. Hubner , Eugene I. Shakhnovich

How can we understand the origins of highly symmetrical objects? One way is to characterize them as the solutions of natural optimization problems from discrete geometry or physics. In this paper, we explore how to prove that exceptional…

Metric Geometry · Mathematics 2012-06-22 Henry Cohn

In this paper we investigate the discrete version of the classical hanging chain problem. We generalize the problem, by allowing for arbitrary mass and length of each link. We show that the shape of the chain can be obtained by solving a…

Optimization and Control · Mathematics 2025-10-27 Russell Gabrys , Stefan Sremac

Dense hard-particle packings are intimately related to the structure of low-temperature phases of matter and are useful models of heterogeneous materials and granular media. Most studies of the densest packings in three dimensions have…

Soft Condensed Matter · Physics 2015-05-13 Yang Jiao , Frank Stillinger , Sal Torquato

We show that the optimal packing of hard spheres in an infinitely long cylinder yields structures characterised by a screw symmetry. Each packing can be assembled by stacking a basic unit cell ad infinitum along the length of the cylinder…

Soft Condensed Matter · Physics 2014-03-05 A. Mughal

Alignments, i.e., position-wise comparisons of two or more strings or ordered lists are of utmost practical importance in computational biology and a host of other fields, including historical linguistics and emerging areas of research in…

Combinatorics · Mathematics 2018-10-19 Sarah J. Berkemer , Christian Höner zu Siederdissen , Peter F. Stadler

Hard spheres are ubiquitous in condensed matter: they have been used as models for liquids, crystals, colloidal systems, granular systems, and powders. Packings of hard spheres are of even wider interest, as they are related to important…

Disordered Systems and Neural Networks · Physics 2015-03-13 Giorgio Parisi , Francesco Zamponi

Questions surrounding the spatial disposition of particles in various condensed-matter systems continue to pose many theoretical challenges. This paper explores the geometric availability of amorphous many-particle configurations that…

Statistical Mechanics · Physics 2007-05-23 S. Torquato , F. H. Stillinger

We study the structure of the set of all possible affine hyperplane sections of a convex polytope. We present two different cell decompositions of this set, induced by hyperplane arrangements. Using our decomposition, we bound the number of…

Combinatorics · Mathematics 2025-06-02 Marie-Charlotte Brandenburg , Jesús A. De Loera , Chiara Meroni

In the optimization of convex domains under a PDE constraint numerical difficulties arise in the approximation of convex domains in $\mathbb{R}^3$. Previous research used a restriction to rotationally symmetric domains to reduce shape…

Numerical Analysis · Mathematics 2023-11-23 Sören Bartels , Hedwig Keller , Gerd Wachsmuth

Closely packed conformations of helices formed on the ideal rope are considered. The pitch versus radius relations which define a closely packed helix are determined. The relations stem from the turn-to-turn distance and curvature limiting…

Computational Physics · Physics 2009-11-07 S. Przybyl , P. Pieranski

The local arrangement of atoms is one of the most important predictors of mechanical and functional properties of materials. However, algorithms for identifying the geometrical arrangements of atoms in complex materials systems are lacking.…

Materials Science · Physics 2019-04-15 Arash Dehghan Banadaki , Jason J. Maldonis , Paul M. Voyles , Srikanth Patala

Shape grammars compute over shapes which are defined in the universe $U^*$. Shapes in the universe $U^*$ are analogous to line drawings that can be physically realized in the plane. Any shape is embedded or contained in an arrangement of…

General Mathematics · Mathematics 2024-10-07 Alexandros Haridis

We use computational experiments to find the rectangles of minimum area into which a given number n of non-overlapping congruent circles can be packed. No assumption is made on the shape of the rectangles. Most of the packings found have…

Metric Geometry · Mathematics 2007-05-23 Boris D. Lubachevsky , Ronald Graham

We present a first exact study on higher-dimensional packing problems with order constraints. Problems of this type occur naturally in applications such as logistics or computer architecture and can be interpreted as higher-dimensional…

Data Structures and Algorithms · Computer Science 2007-05-23 Sandor P. Fekete , Ekkehard Koehler , Juergen Teich

Rigid particles pack into structures, such as sand dunes on the beach, whose overall stability is determined by the average number of contacts between particles. However, when packing spatially extended objects with flexible shapes,…

Soft Condensed Matter · Physics 2009-11-13 Ling-Nan Zou , Xiang Cheng , Mark L. Rivers , Heinrich M. Jaeger , Sidney R. Nagel

Understanding the geometry and topology of configuration or conformational spaces of molecules has relevant applications in chemistry and biology such as the proteins folding problem, drug design and the structure activity relationship…

Quantitative Methods · Quantitative Biology 2019-07-19 Ingrid Membrillo-Solis , Mariam Pirashvili , Lee Steinberg , Jacek Brodzki , Jeremy G. Frey

A common representation of a three dimensional object in computer applications, such as graphics and design, is in the form of a triangular mesh. In many instances, individual or groups of triangles in such representation need to satisfy…

Optimization and Control · Mathematics 2019-04-08 Valentin R. Koch , Hung M. Phan

This work studies the combinatorial optimization problem of finding an optimal core tensor shape, also called multilinear rank, for a size-constrained Tucker decomposition. We give an algorithm with provable approximation guarantees for its…

Data Structures and Algorithms · Computer Science 2024-06-19 Mehrdad Ghadiri , Matthew Fahrbach , Gang Fu , Vahab Mirrokni

Systems of identical particles with equal charge are studied under a special type of confinement. These classical particles are free to move inside some convex region S and on the boundary of it $\Omega$ (the $S^{d-1}-$ sphere, in our…

Classical Physics · Physics 2016-11-25 J. Batle