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Estimating parameters of Partial Differential Equations (PDEs) from noisy and indirect measurements often requires solving ill-posed inverse problems. These so called parameter estimation or inverse medium problems arise in a variety of…

Mathematical Software · Computer Science 2016-12-15 Lars Ruthotto , Eran Treister , Eldad Haber

We apply a recent one-dimensional algorithm for predicting random close packing fractions of polydisperse hard spheres [Farr and Groot, J. Chem. Phys. 133, 244104 (2009)] to the case of lognormal distributions of sphere sizes and mixtures…

Materials Science · Physics 2013-06-07 Robert S. Farr

N-body simulations and trajectory analysis rely on the calculation of attributes that depend on pairwise particle distances within a cutoff. Interparticle potential energies, forces, distribution functions, neighbor lists, and…

Computational Physics · Physics 2022-06-22 Leandro Martínez

The problem of finding the most efficient way to pack spheres has an illustrious history, dating back to the crystalline arrays conjectured by Kepler and the random geometries explored by Bernal in the 60's. This problem finds applications…

Soft Condensed Matter · Physics 2014-09-15 Ping Wang , Chaoming Song , Yuliang Jin , Hernan A. Makse

This paper introduces the TulipaProfileFitting.jl package, a tool developed in Julia for generating renewable energy profiles that fit a specified capacity factor. It addresses the limitations of naive methods in adjusting existing profiles…

Optimization and Control · Mathematics 2024-08-28 Diego A. Tejada-Arango , Germán Morales-España , Abel S. Siqueira , Özge Özdemir

We present BSeries.jl, a Julia package for the computation and manipulation of B-series, which are a versatile theoretical tool for understanding and designing discretizations of differential equations. We give a short introduction to the…

Numerical Analysis · Mathematics 2022-12-06 David I. Ketcheson , Hendrik Ranocha

Most parallel applications suffer from load imbalance, a crucial performance degradation factor. In particle simulations, this is mainly due to the migration of particles between processing elements, which eventually gather unevenly and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-26 Anthony Boulmier , Nabil Abdennadher , Bastien Chopard

In this letter, we used a combination of DEM and the multi-sphere method to investigate the random packing dynamics of $\Sigma_{2v}(2\pi/3)$-triplets. These triplets consist of three overlapping primary spheres, forming a bent structure…

Statistical Mechanics · Physics 2023-10-17 Carlos Handrey Araujo Ferraz

Predicting the degradation processes of molecules over long timescales is a key aspect of industrial materials design. However, it is made computationally challenging by the need to construct large networks of chemical reactions that are…

Chemical Physics · Physics 2025-05-02 Joe Gilkes , Mark Storr , Reinhard J. Maurer , Scott Habershon

In this work, we investigate the unjamming transition in a three-dimensional granular system composed of frictional spheres, in which the packing fraction is systematically reduced by random particle extractions. Using Discrete Element…

Soft Condensed Matter · Physics 2026-04-23 Vicente Salinas , Héctor Alarcón , Eduardo Rojas , Pablo Gutiérrez , Gustavo Castillo

We introduce a new computational methodology for the identification and characterization of free volume within/around atomistic configurations. This scheme employs a three-stage workflow, by which spheres are iteratively grown inside of…

Materials Science · Physics 2022-07-11 James Chapman , Nir Goldman

Stochastic dominance is a fundamental concept in decision-making under uncertainty and quantitative finance, yet its practical application is hindered by computational intractability due to infinitely many constraints. We introduce the…

Optimization and Control · Mathematics 2025-02-27 Rajmadan Lakshmanan , Alois Pichler

This work presents a compact, cumulative and coalescible probabilistic voxel mapping method to enhance performance, accuracy and memory efficiency in LiDAR odometry. Probabilistic voxel mapping requires storing past point clouds and…

Robotics · Computer Science 2024-10-11 Xu Yang , Wenhao Li , Qijie Ge , Lulu Suo , Weijie Tang , Zhengyu Wei , Longxiang Huang , Bo Wang

Although the concept of random close packing with an almost universal packing fraction of ~ 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest…

Soft Condensed Matter · Physics 2013-10-28 Ran Ni , Martien A. Cohen Stuart , Marjolein Dijkstra

In the field of scientific computing, one often finds several alternative software packages (with open or closed source code) for solving a specific problem. These packages sometimes even use alternative methodological approaches, e.g.,…

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

Volume approximation is an important problem found in many applications of computer graphics, vision, and image processing. The problem is about computing an accurate and compact approximate representation of 3D volumes using some simple…

Graphics · Computer Science 2013-08-20 Feng Sun , Yi-King Choi , Yizhou Yu , Wenping Wang

This paper demonstrates how certified computational tools can be used to address various problems in control theory. In particular, we introduce PACE.jl, a Julia package that implements symbolic elimination techniques, including (among…

Symbolic Computation · Computer Science 2025-05-15 Alexander Demin , Christina Katsamaki , Fabrice Rouillier

Connectivity across landscapes influences a wide range of conservation-relevant ecological processes, including species movements, gene flow, and the spread of wildfire, pests, and diseases. Recent improvements in remote sensing data…

Quantitative Methods · Quantitative Biology 2019-06-11 Ranjan Anantharaman , Kimberly Hall , Viral Shah , Alan Edelman

We define three-point bounds for sphere packing that refine the linear programming bound, and we compute these bounds numerically using semidefinite programming by choosing a truncation radius for the three-point function. As a result, we…

Metric Geometry · Mathematics 2022-07-01 Henry Cohn , David de Laat , Andrew Salmon
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