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We develop an all-hex meshing strategy for the interstitial space in beds of densely packed spheres that is tailored to turbulent flow simulations based on the spectral element method (SEM). The SEM achieves resolution through elevated…

Computational Engineering, Finance, and Science · Computer Science 2021-06-03 Yu-Hsiang Lan , Paul Fischer , Elia Merzari , Misun Min

A novel multi-resolution technique called border mapping multi-resolution (BMMR) is proposed for projection-based particle methods. The BMMR aims to obtain background equivalent particle distributions in the two sides of a border between…

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Recent developments for mathematical modeling and numerical simulation of biomolecular systems raise new demands for qualified, stable, and efficient surface meshing, especially in implicit-solvent modeling. In our former work, we have…

Numerical Analysis · Mathematics 2016-11-11 Tiantian Liu , Minxin Chen , Benzhuo Lu

Particle size and shape are the key 3D particle geometry parameters that govern the complex behavior of granular materials. The effect of particle size and shape has often been examined in isolation, typically through separate analyses of…

Soft Condensed Matter · Physics 2025-05-16 Priya Tripathi , Seung Jae Lee

As the most common representation for 3D shapes, mesh is often stored discretely with arrays of vertices and faces. However, 3D shapes in the real world are presented continuously. In this paper, we propose to learn a continuous…

Computer Vision and Pattern Recognition · Computer Science 2023-01-13 Zhongpai Gao

In this paper, we will first introduce a novel multiscale representation (MSR) for shapes. Based on the MSR, we will then design a surface inpainting algorithm to recover 3D geometry of blood vessels. Because of the nature of irregular…

Analysis of PDEs · Mathematics 2012-04-23 Bin Dong , Aichi Chien , Zuowei Shen , Stanley Osher

Numerical simulations are commonly used to understand the parameter dependence of given spatio-temporal phenomena. Sampling a multi-dimensional parameter space and running the respective simulations leads to an ensemble of a large number of…

Human-Computer Interaction · Computer Science 2022-05-04 Marina Evers , Lars Linsen

The multiple scattering method T-matrix (MSTMM) can be used to solve the electromagnetic response of systems consisting of many compact scatterers, retaining a good level of accuracy while using relatively few degrees of freedom, largely…

Optics · Physics 2021-06-16 Marek Nečada , Päivi Törmä

We present a method to simulate deep sky images, including realistic galaxy morphologies and telescope characteristics. To achieve a wide diversity of simulated galaxy morphologies, we first use the shapelets formalism to parametrize the…

Numerical simulations of waves in highly heterogeneous media have important applications, but direct computations are prohibitively expensive. In this paper, we develop a new generalized multiscale finite element method with the aim of…

Numerical Analysis · Mathematics 2015-09-09 Eric T. Chung , Wing Tat Leung

Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the…

Materials Science · Physics 2022-08-31 Ayako Nakata , David R. Bowler , Tsuyoshi Miyazaki

Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…

Soft Condensed Matter · Physics 2022-12-07 Joseph M. Monti , Gary S. Grest

3D Morphable Models (3DMMs) are generative models for face shape and appearance. However, the shape parameters of traditional 3DMMs satisfy the multivariate Gaussian distribution while the identity embeddings satisfy the hypersphere…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Diqiong Jiang , Yiwei Jin , Fanglue Zhang , Zhe Zhu , Yun Zhang , Ruofeng Tong , Min Tang

We study the tomography of multispin quantum states in the context of finite-dimensional Wigner representations. An arbitrary operator can be completely characterized and visualized using multiple shapes assembled from linear combinations…

Quantum Physics · Physics 2018-01-16 David Leiner , Robert Zeier , Steffen J. Glaser

We summarize a series of numerical experiments of collisional dynamics in dense stellar systems such as globular clusters (GCs) and in weakly collisional plasmas using a novel simulation technique, the so-called Multi-particle collision…

Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically…

Fluid Dynamics · Physics 2017-07-28 Darius Markauskas , Harald Kruggel-Emden

Despite the advancements in 3D full-shape generation, accurately modeling complex geometries and semantics of shape parts remains a significant challenge, particularly for shapes with varying numbers of parts. Current methods struggle to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Lei Cheng , Mahdi Saleh , Qing Cheng , Lu Sang , Hongli Xu , Daniel Cremers , Federico Tombari

This paper introduces a new approach for simulating magnetic properties of nanocomposites comprising magnetic particles embedded in a non-magnetic matrix, taking into account the 3D structure of the system in which particles' positions…

Mesoscale and Nanoscale Physics · Physics 2014-10-22 R. F. Neumann , M. Bahiana , L. G. Paterno , M. A. G. Soler , J. P. Sinnecker , J. G. Wen , P. C. Morais

For a wide range of applications, we need DEM simulations of granular matter in contact with flexible elastic boundaries. We present a novel method to describe the interaction between granular particles and a flexible elastic membrane.…

Soft Condensed Matter · Physics 2022-10-20 Holger Goetz , Thorsten Pöschel