Related papers: Domain Decomposition Method for Poisson--Boltzmann…
In this paper, a domain decomposition method for the Poisson-Boltzmann (PB) solvation model that is widely used in computational chemistry is proposed. This method, called ddLPB for short, solves the linear Poisson-Boltzmann (LPB) equation…
We study the Schwarz overlapping domain decomposition method applied to the Poisson problem on a special family of domains, which by construction consist of a union of a large number of fixed-size subdomains. These domains are motivated by…
The Linearized Poisson--Boltzmann (LPB) equation is a popular and widely accepted model for accounting solvent effects in computational (bio-) chemistry. In the present article we derive the analytical forces of the…
A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equations that arise in mathematical models for the electrostatics of molecules in solvent. The proposed method used an implicit…
We present a meshless Schwarz-type non-overlapping domain decomposition method based on artificial neural networks for solving forward and inverse problems involving partial differential equations (PDEs). To ensure the consistency of…
We present a domain decomposition approach for the computation of the electromagnetic field within periodic structures. We use a Schwarz method with transparent boundary conditions at the interfaces of the domains. Transparent boundary…
We study a natural alternating method of Schwarz type (domain decomposition) for certain class of couplings between local and nonlocal operators. We show that our method fits into Lion's framework and prove, as a consequence, convergence in…
We present an extension to the Poisson-Boltzmann model where the dipolar features of solvent molecules are taken explicitly into account. The formulation is derived at mean-field level and can be extended to any order in a systematic…
Domain decomposition methods are widely used for the numerical solution of partial differential equations on high performance computers. We develop an adjoint-based a posteriori error analysis for both multiplicative and additive…
We present a non-overlapping, Schwarz-type domain decomposition method with a generalized interface condition, designed for physics-informed machine learning of partial differential equations (PDEs) in both forward and inverse contexts. Our…
This work investigates the convergence of a domain decomposition method for the Poisson-Boltzmann model that can be formulated as an interior-exterior transmission problem. To study its convergence, we introduce an interior-exterior…
In this paper we consider Schwarz domain decomposition applied to the generation of 2D spatial meshes by a local equidistribution principle. We briefly review the derivation of the local equidistribution principle and the appropriate choice…
A variational approach is used to develop a robust numerical procedure for solving the nonlinear Poisson-Boltzmann equation. Following Maggs et al., we construct an appropriate constrained free energy functional, such that its…
The Schwarz domain decomposition method can be used for approximately solving a Laplace equation on a domain formed by the union of two overlapping discs. We consider an inexact variant of this method in which the subproblems on the discs…
In this paper we propose on continuous level a class of domain decomposition methods of Robin-Robin type to solve the problems of unilateral contact between elastic bodies with nonlinear Winkler covers. These methods are based on abstract…
In this paper, we apply the optimized Schwarz method to the two dimensional nonlinear Schr{\"o}dinger equation and extend this method to the simulation of Bose-Einstein condensates (Gross-Pitaevskii equation). We propose an extended version…
A non-intrusive proper generalized decomposition (PGD) strategy, coupled with an overlapping domain decomposition (DD) method, is proposed to efficiently construct surrogate models of parametric linear elliptic problems. A parametric…
Nonlinear Schwarz methods are a type of nonlinear domain decomposition method used as an alternative to Newton's method for solving discretized nonlinear partial differential equations. In this article, the first parallel implementation of…
This paper is concerned with the numerical solution of porous-media flow and transport problems , i. e. heterogeneous, advection-diffusion problems. Its aim is to investigate numerical schemes for these problems in which different time…
Nonlinear domain decomposition methods became popular in recent years since they can improve the nonlinear convergence behavior of Newton's method significantly for many complex problems. In this article, a nonlinear two-level Schwarz…