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Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…

Chemical Physics · Physics 2020-05-14 Yiheng Qiu , Thomas M. Henderson , Jinmo Zhao , Gustavo E. Scuseria

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Chemical Physics · Physics 2024-10-29 Pablo Grobas Illobre , Piero Lafiosca , Luca Bonatti , Tommaso Giovannini , Chiara Cappelli

Many remarkably robust, rapid and spontaneous self-assembly phenomena in nature can be modeled geometrically starting from a collection of rigid bunches of spheres. This paper highlights the role of symmetry in sphere-based assembly…

Combinatorics · Mathematics 2016-03-15 Meera Sitharam , Andrew Vince , Menghan Wang , Miklos Bona

Recently, a new framework to compute the photoionization rate in streamer discharges accurately and efficiently using the integral form and the fast multipole method (FMM) was presented. This paper further improves the efficiency of this…

Plasma Physics · Physics 2021-12-21 Bo Lin , Chijie Zhuang

This paper studies the thermo-poroelasticity model. By introducing an intermediate variable, we transform the original three-field model into a four-field model. Building upon this four-field model, we present both a coupled finite element…

Numerical Analysis · Mathematics 2025-07-23 Mingchao Cai , Jingzhi Li , Ziliang Li , Qiang Liu

Radiation symmetry evaluation is critical to the laser driven Inertial Confinement Fusion (ICF), which is usually done by solving a view-factor equation model. The model is nonlinear, and the number of equations can be very large when the…

Signal Processing · Electrical Eng. & Systems 2019-08-20 Yanfeng Zhang

This paper presents a grid-free simulation algorithm for the fully three-dimensional Vlasov--Poisson system for collisionless electron plasmas. We employ a standard particle method for the numerical approximation of the distribution…

Numerical Analysis · Mathematics 2020-03-06 Torsten Keßler , Sergej Rjasanow , Steffen Weißer

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…

Computational Physics · Physics 2016-08-15 Xikai Jiang , Jiyuan Li , Xujun Zhao , Jian Qin , Dmitry Karpeev , Juan Hernandez-Ortiz , Juan de Pablo , Olle Heinonen

Integral equation methods for the solution of partial differential equations, when coupled with suitable fast algorithms, yield geometrically flexible, asymptotically optimal and well-conditioned schemes in either interior or exterior…

Numerical Analysis · Mathematics 2015-06-05 Andreas Klöckner , Alexander Barnett , Leslie Greengard , Michael O'Neil

We perform first-principles relativistic particle-in-cell simulations of aligned pulsar magnetosphere. We allow free escape of particles from the surface of a neutron star and continuously populate the magnetosphere with neutral pair plasma…

High Energy Astrophysical Phenomena · Physics 2015-10-08 Alexander Philippov , Anatoly Spitkovsky

This article gives a new insight of kernel-based (approximation) methods to solve the high-dimensional stochastic partial differential equations. We will combine the techniques of meshfree approximation and kriging interpolation to extend…

Numerical Analysis · Mathematics 2015-02-20 Qi Ye

In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…

Soft Condensed Matter · Physics 2025-10-09 Antoine Castagnède , Laura Filion , Frank Smallenburg

In this paper, a fast multipole method (FMM) is proposed to compute long-range interactions of wave sources embedded in 3-D layered media. The layered media Green's function for the Helmholtz equation, which satisfies the transmission…

Numerical Analysis · Mathematics 2020-01-08 Bo Wang , Wenzhong Zhang , Wei Cai

A multilevel kernel-based interpolation method, suitable for moderately high-dimensional function interpolation problems, is proposed. The method, termed multilevel sparse kernel-based interpolation (MLSKI, for short), uses both level-wise…

Numerical Analysis · Mathematics 2012-04-19 Emmanuil H. Georgoulis , Jeremy Levesley , Fazli Subhan

We present in this paper algorithms for solving stiff PDEs on the unit sphere with spectral accuracy in space and fourth-order accuracy in time. These are based on a variant of the double Fourier sphere method in coefficient space with…

Numerical Analysis · Mathematics 2017-12-27 Hadrien Montanelli , Yuji Nakatsukasa

The aim of this paper is to review and discuss qualitatively some results on the properties of amorphous packings of hard spheres that were recently obtained by means of the replica method. The theory gives predictions for the equation of…

Disordered Systems and Neural Networks · Physics 2009-11-11 F. Zamponi

This paper studies a non-singular coupling scheme for solving the acoustic and elastic wave scattering problems and its extension to the problems of Laplace and Lam\'e equations and the problem with a compactly supported inhomogeneity is…

Numerical Analysis · Mathematics 2023-12-27 Xiaojuan Liu , Maojun Li , Tao Yin

In this paper, we present an accurate numerical method for the time-harmonic Maxwell's equations for bi-periodic multilayered media with quasi-periodic incident waves using the Method of Fundamental Solutions in conjunction with a…

Numerical Analysis · Mathematics 2026-05-18 Jared Weed , Bowei Wu , Jingfang Huang , Min Hyung Cho

We present novel coupling schemes for partitioned multi-physics simulation that combine four important aspects for strongly coupled problems: implicit coupling per time step, fast and robust acceleration of the corresponding iterative…

Numerical Analysis · Mathematics 2020-09-21 Benjamin Rüth , Benjamin Uekermann , Miriam Mehl , Philipp Birken , Azahar Monge , Hans-Joachim Bungartz

We describe a fast method for solving elliptic partial differential equations (PDEs) with uncertain coefficients using kernel interpolation at a lattice point set. By representing the input random field of the system using the model…

Numerical Analysis · Mathematics 2023-08-15 Vesa Kaarnioja , Frances Y. Kuo , Ian H. Sloan