Related papers: Domain Decomposition Method for Poisson--Boltzmann…
We present a novel uncertainty quantification approach for high-dimensional stochastic partial differential equations that reduces the computational cost of polynomial chaos methods by decomposing the computational domain into…
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…
Owing to the ability of nonlinear domain decomposition methods to improve the nonlinear convergence behavior of Newton's method, they have experienced a rise in popularity recently in the context of problems for which Newton's method…
In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic…
In this paper, we solve the linearized Poisson-Boltzmann equation, used to model the electric potential of macromolecules in a solvent. We derive a corrected trapezoidal rule with improved accuracy for a boundary integral formulation of the…
We propose a method to reduce the computational effort to solve a partial differential equation on a given domain. The main idea is to split the domain of interest in two subdomains, and to use different approximation methods in each of the…
The additive Schwarz method is usually presented as a preconditioner for a PDE linearization based on overlapping subsets of nodes from a global discretization. It has previously been shown how to apply Schwarz preconditioning to a…
Barren plateaus present a major challenge in the training of variational quantum algorithms (VQAs), particularly for large-scale discretizations of nonlinear partial differential equations. In this work, we introduce a domain decomposition…
The linear Boltzmann model for proton beams is a six-dimensional partial differential equation (PDE). We propose a deterministic solver for the linear Boltzmann model based on scattering decomposition and depth-splitting methods. The main…
We propose a nonlinear additive Schwarz method for solving nonlinear optimization problems with bound constraints. Our method is used as a "right-preconditioner" for solving the first-order optimality system arising within the sequential…
Domain decomposition methods are among the most efficient for solving sparse linear systems of equations. Their effectiveness relies on a judiciously chosen coarse space. Originally introduced and theoretically proved to be efficient for…
Wereportonanewmultiscalemethodapproachforthestudyofsystemswith wide separation of short-range forces acting on short time scales and long-range forces acting on much slower scales. We consider the case of the Poisson-Boltzmann equation that…
A nonlinear Poisson--Boltzmann equation with transmission boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic…
A hybrid Schwarz/multigrid method for spectral element solvers to the Poisson equation in $\mathbb R^2$ is presented. It extends the additive Schwarz method studied by J. Lottes and P. Fischer (J. Sci. Comput. 24:45--78, 2005) by…
For the Poisson equation posed in a domain containing a large number of polygonal perforations, we propose a low-dimensional coarse approximation space based on a coarse polygonal partitioning of the domain. Similarly to other multiscale…
In this paper, we propose a two-level overlapping additive Schwarz domain decomposition preconditioner for the symmetric interior penalty discontinuous Galerkin method for the second order elliptic boundary value problem with highly…
Problems with localized nonhomogeneous material properties present well-known challenges for numerical simulations. In particular, such problems may feature large differences in length scales, causing difficulties with meshing and…
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for molecules represented as non-overlapping spherical cavities.…
We present here the classical Schwarz method with a time domain decomposition applied to unconstrained parabolic optimal control problems. Unlike Dirichlet-Neumann and Neumann-Neumann algorithms, we find different properties based on the…
We prove linear convergence for a new family of modified Dirichlet--Neumann methods applied to quasilinear parabolic equations, as well as the convergence of the Robin--Robin method. Such nonoverlapping domain decomposition methods are…