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We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
An efficient numerical method is proposed for computing the Dirichlet-to-Neumann (DtN) map associated with the exterior Dirichlet problem for the two-dimensional Helmholtz equation with an inhomogeneous term. The exterior solution is…
Consider the diffraction of an electromagnetic plane wave by a biperiodic structure where the wave propagation is governed by the three-dimensional Maxwell equations. Based on transparent boundary condition, the grating problem is…
This paper is concerned with a numerical solution to the scattering of a time-harmonic electromagnetic wave by a bounded and impenetrable obstacle in three dimensions. The electromagnetic wave propagation is modeled by a boundary value…
Consider the scattering of a time-harmonic electromagnetic plane wave by an open cavity which is embedded in a perfectly electrically conducting infinite ground plane. This paper concerns the numerical solutions of the open cavity…
The solution of the Poisson equation is a ubiquitous problem in computational astrophysics. Most notably, the treatment of self-gravitating flows involves the Poisson equation for the gravitational field. In hydrodynamics codes using…
Over the last two decades, several fast, robust, and high-order accurate methods have been developed for solving the Poisson equation in complicated geometry using potential theory. In this approach, rather than discretizing the partial…
In recent years, a number of finite element methods have been formulated for the solution of partial differential equations on complex geometries based on non-matching or overlapping meshes. Examples of such methods include the fictitious…
We consider a standard elliptic partial differential equation and propose a geometric multigrid algorithm based on Dirichlet-to-Neumann (DtN) maps for hybridized high-order finite element methods. The proposed unified approach is applicable…
I formulate a general finite element method (FEM) for self-gravitating stellar systems. I split the configuration space to finite elements, and express the potential and density functions over each element in terms of their nodal values and…
We present a new framework for expressing finite element methods on multiple intersecting meshes: multimesh finite element methods. The framework enables the use of separate meshes to discretize parts of a computational domain that are…
Consider the scattering of a time-harmonic elastic plane wave by a bi-periodic rigid surface. The displacement of elastic wave motion is modeled by the three-dimensional Navier equation in an open domain above the surface. Based on the…
The most popular methods for self-consistent simulation of fields interacting with charged species is using finite difference time domain (FDTD) methods together with Newton's laws of motion to evolve locations and velocities of particles.…
Accurate ab initio modelling of surfaces and interfaces, especially under an applied external potential bias, is important for describing and characterizing various phenomena that occur in electronic, catalytic, and energy storage devices.…
Inverse problems for Partial Differential Equations (PDEs) are crucial in numerous applications such as geophysics, biomedical imaging, and material science, where unknown physical properties must be inferred from indirect measurements. In…
The distant dipolar field (DDF) is a long-range, nonlocal contribution to liquid-state spin dynamics that arises from intermolecular dipolar couplings and can generate multiple-quantum coherences and novel MRI contrast. Its sign-changing…
We develop and analyse finite volume methods for the Poisson problem with boundary conditions involving oblique derivatives. We design a generic framework, for finite volume discretisations of such models, in which internal fluxes are not…
We formulate, analyse, and implement a discontinuous Galerkin finite element method (DG-FEM) for the approximation of the solution of an elliptic boundary value problem in a domain with fractal boundary. We consider the case of the Poisson…
Consider the scattering of a time-harmonic elastic plane wave by a periodic rigid surface. The elastic wave propagation is governed by the two-dimensional Navier equation. Based on a Dirichlet-to-Neumann (DtN) map, a transparent boundary…
We present a method of CutFEM type for the Poisson problem with either Dirichlet or Neumann boundary conditions. The computational mesh is obtained from a background (typically uniform Cartesian) mesh by retaining only the elements…