Related papers: Trefftz Functions for Nonlocal Electrostatics
Approximations by Trefftz functions are rapidly gaining popularity in the numerical solution of boundary value problems of mathematical physics. By definition, these functions satisfy locally, in weak form, the underlying differential…
Electrostatics in the solution phase is governed by free electrical charges such as ions, as well as by bound charges that arise when a polarizable medium responds to an applied field. In a local medium, described by a constant dielectric…
Recent measurements of microsphere interactions in diverse media suggest that the standard dielectric-continuum models of solution-phase interactions are fundamentally incomplete. Experiments indicate that the interactions of charged…
The standard Maxwell formulation of the problem of polarized dielectrics suffers from a number of difficulties, both conceptual and practical. These difficulties are particularly significant in the case of liquid interfaces, where the…
Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…
Trefftz methods are finite element-type schemes whose test and trial functions are (locally) solutions of the targeted differential equation. They are particularly popular for time-harmonic wave problems, as their trial spaces contain…
In this paper, we present an analytical solution to nonlocal continuum electrostatics for an arbitrary charge distribution in a spherical solute. Our approach relies on two key steps: (1) re-formulating the PDE problem using…
We introduce a novel virtual element method (VEM) for the two dimensional Helmholtz problem endowed with impedance boundary conditions. Local approximation spaces consist of Trefftz functions, i.e., functions belonging to the kernel of the…
We present a Trefftz-type finite element method on meshes consisting of curvilinear polygons. Local basis functions are computed using integral equation techniques that allow for the efficient and accurate evaluation of quantities needed in…
The accurate modeling of the dielectric properties of water is crucial for many applications in physics, computational chemistry and molecular biology. This becomes possible in the framework of nonlocal electrostatics, for which we propose…
The nonlocal dielectric properties of liquid water are studied in the context of {\it ab initio} molecular dynamics simulations based on density functional theory. We calculate the dielectric response from the charge structure factor of the…
The dielectric nature of polar liquids underpins much of their ability to act as useful solvents, but its description is complicated by the long-ranged nature of dipolar interactions. This is particularly pronounced under the periodic…
Numerical resolution of exterior Helmholtz problems requires some approach to domain truncation. As an alternative to approximate nonreflecting boundary conditions and invocation of the Dirichlet-to-Neumann map, we introduce a new, nonlocal…
Trefftz schemes are high-order Galerkin methods whose discrete spaces are made of elementwise exact solutions of the underlying PDE. Trefftz basis functions can be easily computed for many PDEs that are linear, homogeneous, and have…
Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…
This paper presents a framework for the analysis of discretization methods based on the decomposition into local and global problems. We apply the framework to provide a comprehensive error analysis for the embedded Trefftz discontinuous…
We construct deterministic particle solutions for linear and fast diffusion equations using a nonlocal approximation. We exploit the $2$-Wasserstein gradient flow structure of the equations in order to obtain the nonlocal approximating PDEs…
We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation effects in electrolyte solutions. The formulation is…
The surface of a polar liquid presents a special environment for the solvation and organization of charged solutes, which differ from bulk behaviors in important ways. These differences have motivated many attempts to understand…
We extend the nonconforming Trefftz virtual element method introduced in arXiv:1805.05634 to the case of the fluid-fluid interface problem, that is, a Helmholtz problem with piecewise constant wave number. With respect to the original…