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The partition function and the one- and two-body distribution functions are evaluated for two hard spheres with different sizes constrained into a spherical pore. The equivalent problem for hard disks is addressed too. We establish a…

Statistical Mechanics · Physics 2010-05-07 Ignacio Urrutia

We propose a new class of space-filling designs called rotated sphere packing designs for computer experiments. The approach starts from the asymptotically optimal positioning of identical balls that covers the unit cube. Properly scaled,…

Methodology · Statistics 2016-08-15 Xu He

Many problems in materials science and biology involve particles interacting with strong, short-ranged bonds, that can break and form on experimental timescales. Treating such bonds as constraints can significantly speed up sampling their…

Numerical Analysis · Mathematics 2020-12-02 Miranda Holmes-Cerfon

In this paper we study crystallographic sphere packings and Kleinian sphere packings, introduced first by Kontorovich and Nakamura in 2017 and then studied further by Kapovich and Kontorovich in 2021. In particular, we solve the problem of…

Geometric Topology · Mathematics 2024-04-15 Nikolay Bogachev , Alexander Kolpakov , Alex Kontorovich

We have employed Particle Swarm Optimization to address a stochastic variant of the Smallest Enclosing Sphere estimation problem. An efficient algorithm has been developed to ascertain the optimal center and radius of a sphere encompassing…

Optimization and Control · Mathematics 2024-01-01 Netzer Moriya

Packing spheres efficiently in large dimension $d$ is a particularly difficult optimization problem. In this paper we add an isotropic interaction potential to the pure hard-core repulsion, and show that one can tune it in order to maximize…

Disordered Systems and Neural Networks · Physics 2018-06-28 Thibaud Maimbourg , Mauro Sellitto , Guilhem Semerjian , Francesco Zamponi

We generalize the rejection-free event-chain Monte Carlo algorithm from many particle systems with pairwise interactions to systems with arbitrary three- or many-particle interactions. We introduce generalized lifting probabilities between…

Statistical Mechanics · Physics 2017-05-01 Julian Harland , Manon Michel , Tobias A. Kampmann , Jan Kierfeld

The problem of packing of equal disks (or circles) into a rectangle is a fundamental geometric problem. (By a packing here we mean an arrangement of disks in a rectangle without overlapping.) We consider the following algorithmic…

Computational Geometry · Computer Science 2022-11-18 Fedor V. Fomin , Petr A. Golovach , Tanmay Inamdar , Saket Saurabh , Meirav Zehavi

Studies of random close packing of spheres have advanced our knowledge about the structure of systems such as liquids, glasses, emulsions, granular media, and amorphous solids. When these systems are confined their structural properties…

Soft Condensed Matter · Physics 2009-12-17 Kenneth W. Desmond , Eric R. Weeks

We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into…

Statistical Mechanics · Physics 2014-12-18 Tobias Alexander Kampmann , Horst-Holger Boltz , Jan Kierfeld

Equilibrium sampling of the configuration space in disordered systems requires algorithms that bypass the glassy slowing down of the physical dynamics. Irreversible Monte Carlo algorithms breaking detailed balance successfully accelerate…

Disordered Systems and Neural Networks · Physics 2024-07-15 Federico Ghimenti , Ludovic Berthier , Frédéric van Wijland

We give exact and approximation algorithms for two-center problems when the input is a set $\mathcal{D}$ of disks in the plane. We first study the problem of finding two smallest congruent disks such that each disk in $\mathcal{D}$…

Computational Geometry · Computer Science 2012-01-06 Hee-Kap Ahn , Sang-Sub Kim , Christian Knauer , Lena Schlipf , Chan-Su Shin , Antoine Vigneron

We study the classical 1D Heisenberg spin glasses. Based on the Hamilton equations we obtained the system of recurrence equations which allows to perform node-by-node calculations of a spin-chain. It is shown that calculations from first…

Disordered Systems and Neural Networks · Physics 2015-12-15 A. S. Gevorkyan , V. V. Sahakyan

This key-issues review is a plea for a new focus on simpler and more realistic models of glass-forming fluids. It seems to me that we have too often been led astray by sophisticated mathematical models that beautifully capture some of the…

Statistical Mechanics · Physics 2015-06-17 J. S. Langer

Methodology is provided towards the solution of the minimum enclosing ball problem. This problem concerns the determination of the unique spherical surface of smallest radius enclosing a given bounded set in the d-dimensional Euclidean…

Computational Geometry · Computer Science 2024-10-16 Michael N. Vrahatis

Non-relativistic particles that are effectively confined to two dimensions can in general move on curved surfaces, allowing dynamical phenomena beyond what can be described with scalar potentials or even vector gauge fields. Here we…

Quantum Physics · Physics 2022-11-15 James R. Anglin , Etienne Wamba

In this work, we present a new computational approach to characterize and classify molecular packing in the solid states. The key idea is to project each neighboring molecule (or short contact) from the centered molecule into a unit sphere…

Materials Science · Physics 2025-06-06 Qiang Zhu , Weilun Tang , Shinnosuke Hattori

This paper investigates p-spin distributions for a generic spherical p-spin model; we give a representation of spin distributions in terms of a stochastic process. In order to do this, we find a novel double limit scheme that allows us to…

Probability · Mathematics 2019-07-10 Arka Adhikari

We present the first systematic algorithm to estimate the maximum packing density of spheres when the grain sizes are drawn from an arbitrary size distribution. With an Apollonian filling rule, we implement our technique for disks in 2d and…

Statistical Mechanics · Physics 2012-01-05 Saulo D. S. Reis , Nuno A. M. Araújo , José S. Andrade , Hans J. Herrmann

The aim of this paper is to highlight recent progress in using conic optimization methods to study geometric packing problems. We will look at four geometric packing problems of different kinds: two on the unit sphere -- the kissing number…

Optimization and Control · Mathematics 2025-10-09 Frank Vallentin