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An accurate description of 2-D quantum transport in a double-gate metal oxide semiconductor filed effect transistor (dgMOSFET) requires a high-resolution solver to a coupled system of the 4-D Wigner equation and 2-D Poisson equation. In…

Computational Physics · Physics 2022-05-10 Zhenzhu Chen , Haiyan Jiang , Sihong Shao

Porous electrodes are widely used in electrochemical systems, where accurately determining electric potentials, particularly overpotentials, is essential for understanding electrode behavior. At the macroscopic scale, porous electrodes are…

Numerical Analysis · Mathematics 2026-03-03 Yuhe Wang , Min Wang , Zhihang Xu

We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…

Chemical Physics · Physics 2025-09-23 Hieu Q. Dinh , Adam Rettig , Xintian Feng , Joonho Lee

We present a linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. The resulting method is systematically improvable and well suited to large-scale quantum mechanical calculations in which…

Materials Science · Physics 2021-11-09 J. E. Pask , N. Sukumar , S. E. Mousavi

Studying time-dependent behavior in lasers is analytically difficult due to the saturating non-linearity inherent in the Maxwell-Bloch equations and numerically demanding because of the computational resources needed to discretize both time…

Optics · Physics 2015-12-23 O. Malik , K. G. Makris , H. E. Türeci

A variety of electrostatic phenomena, including the structure of electric double layers and the aggregation of charged colloids and proteins, are affected by nonuniform electric permittivity. These effects are frequently ignored in…

Soft Condensed Matter · Physics 2018-10-17 Huanxin Wu , Erik Luijten

Numerical approximation of the Boltzmann equation presents a challenging problem due to its high-dimensional, nonlinear, and nonlocal collision operator. Among the deterministic methods, the Fourier-Galerkin spectral method stands out for…

Numerical Analysis · Mathematics 2021-05-20 Jingwei Hu , Xiaodong Huang , Jie Shen , Haizhao Yang

A numerical method is developed to efficiently calculate the stress (and displacement) field in finite 2D rectangular media. The solution is expanded on a function basis with elements that satisfy the Navier-Cauchy equation. The obtained…

Materials Science · Physics 2020-04-22 Denes Berta , Istvan Groma , Peter Dusan Ispanovity

The spectral problem associated with the linearization about solitary waves of spinor systems or optical coupled mode equations supporting gap solitons is formulated in terms of the Evans function, a complex analytic function whose zeros…

Pattern Formation and Solitons · Physics 2009-11-10 Gianne Derks , Georg A. Gottwald

We consider the high energy physics unfolding problem where the goal is to estimate the spectrum of elementary particles given observations distorted by the limited resolution of a particle detector. This important statistical inverse…

Applications · Statistics 2015-11-18 Mikael Kuusela , Victor M. Panaretos

The advection-diffusion and wave equations are the fundamental equations governing any physical law and therefore arise in many areas of physics and astrophysics. For complex problems and geometries, only numerical simulations can give…

Computational Physics · Physics 2014-01-08 J. Pétri

Three different numerical techniques for solving a coupled channel Schroedinger equation are compared. This benchmark equation, which describes the collision between two ultracold atoms, consists of two channels, each containing the same…

Atomic Physics · Physics 2009-10-31 G. H. Rawitscher , B. D. Esry , E. Tiesinga , J. P. Burke

Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…

Fluid Dynamics · Physics 2015-06-11 Brian D. Storey , Martin Z. Bazant

The description of a conducting medium in thermal equilibrium, such as an electrolyte solution or a plasma, involves nonlinear electrostatics, a subject rarely discussed in the standard electricity and magnetism textbooks. We consider in…

Chemical Physics · Physics 2018-08-01 C. G. Gray , P. J. Stiles

The diffuse domain method for partial differential equations on complicated geometries recently received strong attention in particular from practitioners, but many fundamental issues in the analysis are still widely open. In this paper we…

Numerical Analysis · Mathematics 2014-12-19 Martin Burger , Ole Løseth Elvetun , Matthias Schlottbom

Spectral estimation plays a fundamental role in frequency-domain identification and related signal processing problems. This paper revisits a 2-D spectral estimation problem formulated in terms of convex optimization. More precisely, we…

Optimization and Control · Mathematics 2026-01-07 Ji Cheng , Bin Zhu

In this work we investigate in detail, the different regimes of the pioneering work of Chklovskii et al. (1992), which provides an analytical description to model the electrostatics at the edges of a two-dimensional electron gas. We take…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 A. Salman , M. B. Yucel , A. Siddiki

The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is the particle-mesh interpolation. In this work, the optimal…

Chemical Physics · Physics 2017-10-25 Han Wang , Jun Fang , Xingyu Gao

Quantum computing holds the promise of solving computational mechanics problems in polylogarithmic time, meaning computational time scales as $\mathscr{O}((\log N)^c)$, where $N$ is the problem size and $c$ a constant. We propose a quantum…

Numerical Analysis · Mathematics 2026-04-22 Eky Febrianto , Yiren Wang , Burigede Liu , Michael Ortiz , Fehmi Cirak

Spectral embedding uses eigenfunctions of the discrete Laplacian on a weighted graph to obtain coordinates for an embedding of an abstract data set into Euclidean space. We propose a new pre-processing step of first using the eigenfunctions…

Machine Learning · Statistics 2016-07-18 Alexander Cloninger , Stefan Steinerberger