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The numerical simulation of weakly nonlinear ultrasound is important in treatment planning for focused ultrasound (FUS) therapies. However, the large domain sizes and generation of higher harmonics at the focus make these problems extremely…

We propose an enhanced approach to the extrapolation of mean potential forces acting on atoms of solute macromolecules due to their interactions with solvent atoms in complex biochemical liquids. It improves and extends previous…

Chemical Physics · Physics 2020-01-08 Igor Omelyan , Andriy Kovalenko

In this paper, we propose a general framework to accelerate significantly the algorithms for nonnegative matrix factorization (NMF). This framework is inspired from the extrapolation scheme used to accelerate gradient methods in convex…

Numerical Analysis · Computer Science 2020-01-14 Andersen Man Shun Ang , Nicolas Gillis

We present a fast algorithm for evaluating the (non-smooth) solution of the free-space two-dimensional (2D) scalar wave equation with many point sources, each with a high-frequency band-limited time signature. Such an algorithm is key to an…

Numerical Analysis · Mathematics 2026-04-09 Nour G. Al Hassanieh , Leslie Greengard , Alex H. Barnett

Efficient design and performance of electrically actuated MEMS devices necessitate accurate estimation of electrostatic forces on the MEMS structures. This in turn requires thorough study of the capacitance of the structures and finally the…

Computational Physics · Physics 2007-05-23 N. Majumdar , S. Mukhopadhyay

Only a few numerical methods can treat boundary value problems on polygonal and polyhedral meshes. The BEM-based Finite Element Method is one of the new discretization strategies, which make use of and benefits from the flexibility of these…

Numerical Analysis · Mathematics 2017-08-29 Steffen Weißer

Phase field fracture models have seen widespread application in the last decade. Among these applications, its use to model the evolution of fatigue cracks has attracted particular interest, as fatigue damage behaviour can be predicted for…

Computational Engineering, Finance, and Science · Computer Science 2023-04-26 P. K. Kristensen , A. Golahmar , E. Martínez-Pañeda , C. F. Niordson

This article introduces a new fast direct solver for linear systems arising out of wide range of applications, integral equations, multivariate statistics, radial basis interpolation, etc., to name a few. \emph{The highlight of this new…

Numerical Analysis · Mathematics 2014-07-08 Sivaram Ambikasaran , Eric Darve

During relativistic magnetic reconnection, antiparallel magnetic fields undergo a rapid change in topology, releasing a large amount of energy in the form of non-thermal particle acceleration. This work explores the application of mesh…

Density matrix embedding theory (DMET) is a powerful quantum embedding method for solving strongly correlated quantum systems. Theoretically, the performance of a quantum embedding method should be limited by the computational cost of the…

Computational Physics · Physics 2020-08-19 Xiaojie Wu , Michael Lindsey , Tiangang Zhou , Yu Tong , Lin Lin

Immersed boundary methods are high-order accurate computational tools used to model geometrically complex problems in computational mechanics. While traditional finite element methods require the construction of high-quality boundary-fitted…

Numerical Analysis · Mathematics 2024-02-27 Jennifer E. Fromm , Nils Wunsch , Kurt Maute , John A. Evans , Jiun-Shyan Chen

A new numerical approach is proposed for the simulation of coupled three-dimensional and one-dimensional elliptic equations (3D-1D coupling) arising from dimensionality reduction of 3D-3D problems with thin inclusions. The method is based…

Numerical Analysis · Mathematics 2021-11-24 Stefano Berrone , Denise Grappein , Stefano Scialo'

We describe and implement iMapD, a computer-assisted approach for accelerating the exploration of uncharted effective Free Energy Surfaces (FES), and more generally for the extraction of coarse-grained, macroscopic information from…

Meshless methods are commonly used to determine numerical solutions to partial differential equations (PDEs) for problems involving free surfaces and/or complex geometries, approximating spatial derivatives at collocation points via local…

Numerical Analysis · Mathematics 2025-10-24 H. Broadley , J. R. C. King , S. J. Lind

This paper introduces a novel method for the efficient and accurate computation of volume fractions on unstructured polyhedral meshes, where the phase boundary is an orientable hypersurface, implicitly given as the iso-contour of a…

Numerical Analysis · Mathematics 2021-11-19 Johannes Kromer , Dieter Bothe

In mesh-based numerical simulations, the interpolation of mesh-defined functions across different meshes is a critical task, and achieving high-precision interpolation is of great significance for improving the computational efficiency and…

Numerical Analysis · Mathematics 2026-04-15 Jiaxiong Hao , Yunqing Huang , Nianyu Yi

Metasurfaces based on gap surface-plasmon resonators allow one to arbitrarily control the phase, amplitude and polarization of reflected light with high efficiency. However, the performance of densely-packed metasurfaces is reduced, often…

This paper presents Neural Mesh Fusion (NMF), an efficient approach for joint optimization of polygon mesh from multi-view image observations and unsupervised 3D planar-surface parsing of the scene. In contrast to implicit neural…

Computer Vision and Pattern Recognition · Computer Science 2024-02-27 Farhad G. Zanjani , Hong Cai , Yinhao Zhu , Leyla Mirvakhabova , Fatih Porikli

Many models in natural and social sciences are comprised of sets of inter-acting entities whose intensity of interaction decreases with distance. This often leads to structures of interest in these models composed of dense packs of…

Artificial Intelligence · Computer Science 2009-10-08 Pierrick Tranouez , Antoine Dutot

Machine learning methods have nowadays become easy-to-use tools for constructing high-dimensional interatomic potentials with ab initio accuracy. Although machine learned interatomic potentials are generally orders of magnitude faster than…

Computational Physics · Physics 2021-02-24 Yaolong Zhang , Ce Hu , Bin Jiang