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In this paper, we construct an efficient numerical scheme for full-potential electronic structure calculations of periodic systems. In this scheme, the computational domain is decomposed into a set of atomic spheres and an interstitial…

Numerical Analysis · Mathematics 2024-12-20 Xiaoxu Li , Huajie Chen

In this paper, we study the multi-patch discontinuous Galerkin isogeometric (DG-IGA) approximations for full-potential electronic structure calculations. We decompose the physical domain into several subdomains, represent each part of the…

Numerical Analysis · Mathematics 2024-12-16 Xiaoxu Li , Xucheng Meng

This paper is concerned with developing accurate and efficient numerical methods for one-dimensional fully nonlinear second order elliptic and parabolic partial differential equations (PDEs). In the paper we present a general framework for…

Numerical Analysis · Mathematics 2012-12-04 Xiaobing Feng , Thomas Lewis

In this paper, we develop a local multiscale model reduction strategy for the elastic wave equation in strongly heterogeneous media, which is achieved by solving the problem in a coarse mesh with multiscale basis functions. We use the…

Numerical Analysis · Mathematics 2022-07-12 Zhongqian Wang , Shubin Fu , Zishang Li , Eric Chung

Electronic structure calculations are mostly carried out with Coulomb potential singularity adapted basis sets like STO or contracted GTO. With other basis or for heavy elements the pseudopotentials may appear as a practical alternative.…

Chemical Physics · Physics 2022-11-14 Tommi Höynälänmaa , Tapio Rantala

Interior penalty discontinuous Galerkin discretisations (IPDG) and especially the symmetric variant (SIPG) for time-domain wave propagation problems are broadly accepted and widely used due to their advantageous properties. Linear systems…

Computational Engineering, Finance, and Science · Computer Science 2019-01-31 Uwe Köcher

In this paper, a variant of discretization of the van Roosbroeck equations in the equilibrium state with the Composite Discontinuous Galerkin Method for the rectangular domain is discussed. It is based on Symmetric Interior Penalty Galerkin…

Numerical Analysis · Mathematics 2020-01-16 Konrad Sakowski , Leszek Marcinkowski , Pawel Strak , Pawel Kempisty , Stanislaw Krukowski

This paper presents a fully discrete numerical scheme for one-dimensional nonlocal wave equations and provides a rigorous theoretical analysis. To facilitate the spatial discretization, we introduce an auxiliary variable analogous to the…

Numerical Analysis · Mathematics 2025-07-15 Qiang Du , Kui Ren , Lu Zhang , Yin Zhou

This paper proposes and analyzes two fully discrete mixed interior penalty discontinuous Galerkin (DG) methods for the fourth order nonlinear Cahn-Hilliard equation. Both methods use the backward Euler method for time discretization and…

Numerical Analysis · Mathematics 2015-02-24 Xiaobing Feng , Yukun Li , Yulong Xing

This paper develops and analyzes an interior penalty discontinuous Galerkin (IPDG) method using piecewise linear polynomials for the indefinite time harmonic Maxwell equations with the impedance boundary condition in the three dimensional…

Numerical Analysis · Mathematics 2012-12-11 Xiaobing Feng , Haijun Wu

This paper develops interior penalty discontinuous Galerkin (IP-DG) methods to approximate $W^{2,p}$ strong solutions of second order linear elliptic partial differential equations (PDEs) in non-divergence form with continuous coefficients.…

Numerical Analysis · Mathematics 2016-05-17 Xiaobing Feng , Michael Neilan , Stefan Schnake

We develop a hybrid spatial discretization for the wave equation in second order form, based on high-order accurate finite difference methods and discontinuous Galerkin methods. The hybridization combines computational efficiency of finite…

Numerical Analysis · Mathematics 2022-10-26 Siyang Wang , Gunilla Kreiss

For hyperbolic conservation laws, traditional methods and physics-informed neural networks (PINNs) often encounter difficulties in capturing sharp discontinuities and maintaining temporal consistency. To address these challenges, we…

Numerical Analysis · Mathematics 2025-08-25 Yan Shen , Jingrun Chen , Keke Wu

A coupled hybridizable discontinuous Galerkin (HDG) and boundary integral (BI) method is proposed to efficiently analyze electromagnetic scattering from inhomogeneous/composite objects. The coupling between the HDG and the BI equations is…

Computational Engineering, Finance, and Science · Computer Science 2023-06-21 Ran Zhao , Ming Dong , Liang Chen , Jun Hu , Hakan Bagci

In this paper we propose and analyze an interior penalty discontinuous Galerkin (IP-DG) method using piecewise linear polynomials for the elastic Helmholtz equations with the first order absorbing boundary condition. It is proved that the…

Numerical Analysis · Mathematics 2015-01-23 Xiaobing Feng , Cody Lorton

We present and analyze an interior penalty discontinuous Galerkin Isogeometric Analysis (dG-IgA) method for the biharmonic equation in computational domain in $\mathbb{R}^d$ with $d =2,3.$ The computational domain consist of several…

Numerical Analysis · Mathematics 2018-05-14 Stephen E. Moore

We develop a high order accurate numerical method for solving the elastic wave equation in second-order form. We hybridize the computationally efficient Cartesian grid formulation of finite differences with geometrically flexible…

Numerical Analysis · Mathematics 2025-02-04 Andreas Granath , Siyang Wang

This paper develops an efficient Monte Carlo interior penalty discontinuous Galerkin method for electromagnetic wave propagation in random media. This method is based on a multi-modes expansion of the solution to the time-harmonic random…

Numerical Analysis · Mathematics 2018-06-15 Xiaobing Feng , Junshan Lin , Cody Lorton

In this paper, we propose a class of adaptive multiresolution (also called adaptive sparse grid) discontinuous Galerkin (DG) methods for simulating scalar wave equations in second order form in space. The two key ingredients of the schemes…

Numerical Analysis · Mathematics 2020-04-21 Juntao Huang , Yuan Liu , Wei Guo , Zhanjing Tao , Yingda Cheng

This work is concerned with the analysis of a space-time finite element discontinuous Galerkin method on polytopal meshes (XT-PolydG) for the numerical discretization of wave propagation in coupled poroelastic-elastic media. The…

Numerical Analysis · Mathematics 2023-12-05 Paola F. Antonietti , Michele Botti , Ilario Mazzieri
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