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We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids, and certain smoothly-shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. E 81, 041310 (2010)]. Here we…

Statistical Mechanics · Physics 2012-07-26 Salvatore Torquato , Yang Jiao

Lattices and periodic point sets are well known objects from discrete geometry. They are also used in crystallography as one of the models of atomic structure of periodic crystals. In this paper we study the embedding properties of spaces…

Metric Geometry · Mathematics 2023-10-12 Alexey Garber , Žiga Virk , Nicolò Zava

We consider the lattice model for an ideal-linear polymer chain to mimic the conformations of the semi-flexible homo-polymer chain. The polymer chain is assumed to confine in the fairly small area, such that the flexible chain conformations…

Soft Condensed Matter · Physics 2020-10-23 Pramod Kumar Mishra

In this thesis we study string compactifications on manifolds equipped with a $G$-structure, placing a special emphasis on the interplay between geometry and physics. We follow two complementary approaches. In the first part of the thesis…

High Energy Physics - Theory · Physics 2022-12-29 Mateo Galdeano

Hard-particle packings have served as useful starting points to study the structure of diverse systems such as liquids, living cells, granular media, glasses, and amorphous solids. Howard Reiss has played a major role in helping to…

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

Lattice-model simulations and experiments of some small proteins suggest that folding is essentially controlled by a few conserved contacts. Residues of these conserved contacts form the minimum set of native contacts needed to ensure…

Biomolecules · Quantitative Biology 2011-09-14 Wei-Mou Zheng , Hui Zeng , Dong-Bo Bu , Ming-Fu Shao , Ke-Song Liu , Chao Wang

The task of finding the optimal compression of a polyline with straight-line segments and arcs is performed in many applications, such as polyline compression, noise filtering, and feature recognition. Optimal compression algorithms find…

Computational Geometry · Computer Science 2018-11-15 Alexander Gribov

The optimal binning is the optimal discretization of a variable into bins given a discrete or continuous numeric target. We present a rigorous and extensible mathematical programming formulation for solving the optimal binning problem for a…

Machine Learning · Computer Science 2022-12-12 Guillermo Navas-Palencia

We consider sets of trace-normalized non-negative operators in Hilbert-Schmidt balls that maximize their mutual Hilbert-Schmidt distance; these are optimal arrangements in the sets of purity-limited classical or quantum states on a…

Combinatorics · Mathematics 2020-01-14 Bernhard Bodmann , Emily J. King

Finding correspondences between shapes is a fundamental problem in computer vision and graphics, which is relevant for many applications, including 3D reconstruction, object tracking, and style transfer. The vast majority of correspondence…

Computer Vision and Pattern Recognition · Computer Science 2024-04-04 Maolin Gao , Zorah Lähner , Johan Thunberg , Daniel Cremers , Florian Bernard

The shape of the cross section of a dense fiber bundle is related to the symmetry of its molecular packing. However, this statement might be belied by type I collagen fibrils which have a rounded section of high symmetry while structural…

Soft Condensed Matter · Physics 2013-03-22 Jean Charvolin , Jean-François Sadoc

The (axis-parallel) stabbing number of a given set of line segments is the maximum number of segments that can be intersected by any one (axis-parallel) line. This paper deals with finding perfect matchings, spanning trees, or…

Computational Geometry · Computer Science 2008-09-05 Sandor P. Fekete , Marco Luebbecke , Henk Meijer

Patchy particles have proven to be a prominent model for studying the self-assembly behavior of various systems, ranging from finite clusters to bulk crystal assemblies, and from synthetic colloidal particles to viruses. The patchy particle…

Soft Condensed Matter · Physics 2025-10-13 Gregory Snyder , Chrisy Xiyu Du

A fast and reliable geometry optimization algorithm is presented that optimizes atomic positions and lattice vectors simultaneously. Using a series of benchmarks, it is shown that the method presented in this paper outperforms in most cases…

Computational Physics · Physics 2024-12-05 Moritz Gubler , Marco Krummenacher , Hannes Huber , Stefan Goedecker

We initiate the study of the following natural geometric optimization problem. The input is a set of axis-aligned rectangles in the plane. The objective is to find a set of horizontal line segments of minimum total length so that every…

Computational Geometry · Computer Science 2018-06-11 Timothy M. Chan , Thomas C. van Dijk , Krzysztof Fleszar , Joachim Spoerhase , Alexander Wolff

We examine packing of $n$ congruent spheres in a cube when $n$ is close but less than the number of spheres in a regular cubic close-packed (ccp) arrangement of $\lceil p^{3}/2\rceil$ spheres. For this family of packings, the previous…

Computational Geometry · Computer Science 2015-03-30 Milos Tatarevic

Max-cut, clustering, and many other partitioning problems that are of significant importance to machine learning and other scientific fields are NP-hard, a reality that has motivated researchers to develop a wealth of approximation…

Data Structures and Algorithms · Computer Science 2018-10-17 Maria-Florina Balcan , Vaishnavh Nagarajan , Ellen Vitercik , Colin White

We consider random perfect matchings on a general class of contracting bipartite graphs by letting certain edge weights be 0 on the contracting square-hexagon lattice in a periodic way. We obtain a deterministic limit shape in the scaling…

Probability · Mathematics 2021-01-07 Zhongyang Li

Building on Viazovska's recent solution of the sphere packing problem in eight dimensions, we prove that the Leech lattice is the densest packing of congruent spheres in twenty-four dimensions and that it is the unique optimal periodic…

Number Theory · Mathematics 2017-08-29 Henry Cohn , Abhinav Kumar , Stephen D. Miller , Danylo Radchenko , Maryna Viazovska

Many combinatorial optimization problems can be formulated as the search for a subgraph that satisfies certain properties and minimizes the total weight. We assume here that the vertices correspond to points in a metric space and can take…

Data Structures and Algorithms · Computer Science 2024-12-25 Marin Bougeret , Jérémy Omer , Michael Poss