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Torsional modes within a complex molecule containing various functional groups are often strongly coupled so that the harmonic approximation and one-dimensional torsional treatment are inaccurate to evaluate their partition functions. A…

Computational Physics · Physics 2020-08-07 Chengming He , Yicheng Chi , Peng Zhang

We present an isogeometric analysis technique that builds on manifold-based smooth basis functions for geometric modelling and analysis. Manifold-based surface construction techniques are well known in geometric modelling and a number of…

Numerical Analysis · Computer Science 2017-04-05 Musabbir Majeed , Fehmi Cirak

Voronoi tessellation, also known as Voronoi diagram, is an important computational geometry technique that has applications in various scientific disciplines. It involves dividing a given space into regions based on the proximity to a set…

Computational Geometry · Computer Science 2024-12-17 Sergei Shumilin , Alexander Ryabov , Serguei Barannikov , Evgeny Burnaev , Vladimir Vanovskii

A highly adaptive load balancing algorithm for parallel simulations using particle methods, such as molecular dynamics and smoothed particle hydrodynamics (SPH), is developed. Our algorithm is based on the dynamic spatial decomposition of…

Computational Physics · Physics 2018-11-14 M. S. Egorova , S. A. Dyachkov , A. N. Parshikov , V. V. Zhakhovsky

In this paper, we present a surface remeshing method with high approximation quality based on Principal Component Analysis. Given a triangular mesh and a user assigned polygon/vertex budget, traditional methods usually require the extra…

Graphics · Computer Science 2018-04-10 Yiqi Cai , Xiaohu Guo , Yang Liu , Wenping Wang , Weihua Mao , Zichun Zhong

We present an analytically explicit study of optimal discrete quantization on spherical geometries equipped with the geodesic metric, focusing on highly symmetric configurations on the unit sphere $\mathbb S^2$. Three discrete uniform…

Optimization and Control · Mathematics 2026-05-04 Mrinal Kanti Roychowdhury

This article provides numerical evidence that under volume constraint the ball is the set which maximizes the perimeter of the least-perimeter partition into cells with prescribed areas. We introduce a numerical maximization algorithm which…

Optimization and Control · Mathematics 2021-06-08 Beniamin Bogosel , Edouard Oudet

Reconstructing a surface from a point cloud is an underdetermined problem. We use a neural network to study and quantify this reconstruction uncertainty under a Poisson smoothness prior. Our algorithm addresses the main limitations of…

Graphics · Computer Science 2023-09-22 Silvia Sellán , Alec Jacobson

The theory and application of numerical methods for unstructured meshes have been improved significantly in recent years. Because the grids can be place arbitrarily in space, unstructured meshes can provide much higher spatial resolution…

Astrophysics · Physics 2015-06-24 Guohong Xu

We present a method for reconstructing triangle meshes from point clouds. Existing learning-based methods for mesh reconstruction mostly generate triangles individually, making it hard to create manifold meshes. We leverage the properties…

Computer Vision and Pattern Recognition · Computer Science 2021-05-07 Marie-Julie Rakotosaona , Paul Guerrero , Noam Aigerman , Niloy Mitra , Maks Ovsjanikov

Our main contribution is a concentration inequality for the symmetric volume difference of a $ C^2 $ convex body with positive Gaussian curvature and a circumscribed random polytope with a restricted number of facets, for any probability…

Metric Geometry · Mathematics 2020-03-02 Steven Hoehner , Gil Kur

A controllable soft solid is realised in vortex matter in a type II superconductor. The two-dimensional unit cell area can be varied by a factor of $10^4$ in the solid phase, without a change of crystal symmetry offering easy exploration of…

Soft Condensed Matter · Physics 2019-04-11 Jonathan S. Watkins , Nicola K. Wilkin

For large-scale point cloud processing, resampling takes the important role of controlling the point number and density while keeping the geometric consistency. % in related tasks. However, current methods cannot balance such different…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Xianhe Jiao , Chenlei Lv , Junli Zhao , Ran Yi , Yu-Hui Wen , Zhenkuan Pan , Zhongke Wu , Yong-jin Liu

A numerically efficient, accurate, and easily implemented integration scheme over convex Voronoi polyhedra (VP) is presented for use in {\it ab-initio} electronic-structure calculations. We combine a weighted Voronoi tessellation with…

Materials Science · Physics 2013-12-25 Aftab Alam , S. N. Khan , Brian G. Wilson , D. D. Johnson

We have developed a novel method of determining 2D radial density profiles for astronomical systems of discrete objects using Voronoi tessellations. This Voronoi-based method was tested against the standard annulus-based method on 5…

Instrumentation and Methods for Astrophysics · Physics 2024-07-04 Veronika Dornan , William E. Harris

Purpose: The purpose of this work is to investigate the hypothesis that uniform sampling measurements that are endowed with antipodal symmetry play an important role when the raw data and image data are related through the Fourier…

Medical Physics · Physics 2014-01-15 Cheng Guan Koay

We introduce a "Hamiltonian"-like function, called the volume function, indispensable to describe the ensemble of jammed matter such as granular materials and emulsions from a geometrical point of view. The volume function represents the…

Soft Condensed Matter · Physics 2010-11-18 Chaoming Song , Ping Wang , Yuliang Jin , Hernan A. Makse

We consider a strongly heterogeneous medium saturated by an incompressible viscous fluid as it appears in geomechanical modeling. This poroelasticity problem suffers from rapidly oscillating material parameters, which calls for a thorough…

Numerical Analysis · Mathematics 2018-12-27 Robert Altmann , Eric Chung , Roland Maier , Daniel Peterseim , Sai-Mang Pun

In this paper we present a new method, which allows for the construction of triangular isosurfaces from three-dimensional data sets, such as 3D image data and/or numerical simulation data that are based on regularly shaped, cubic lattices.…

Computational Geometry · Computer Science 2012-06-11 B. R. Schlei

In this article, we propose a numerical method to solve semi-discrete optimal transport problems for gigantic pointsets (108 points and more). By pushing the limits by several orders of magnitude, it opens the path to new applications in…

Computational Physics · Physics 2025-09-16 Bruno Lévy , Nicolas Ray , Quentin Mérigot , Hugo Leclerc