Analysis of the Schwarz domain decomposition method for the conductor-like screening continuum model

DOI10.1137/20M1342872zbMATH Open1459.65231arXiv2006.01935MaRDI QIDQ5855641FDOQ5855641

Authors: Arnold Reusken, Benjamin Stamm 

Publication date: 19 March 2021

Published in: SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Abstract: 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 applications in computational chemistry where the subdomains consist of van der Waals balls. As is usual in the theory of domain decomposition methods, the rate of convergence of the Schwarz method is related to a stable subspace decomposition. We derive such a stable decomposition for this family of domains and analyze how the stability "constant" depends on relevant geometric properties of the domain. For this, we introduce new descriptors that are used to formalize the geometry for the family of domains. We show how, for an increasing number of subdomains, the rate of convergence of the Schwarz method depends on specific local geometry descriptors and on one global geometry descriptor. The analysis also naturally provides lower bounds in terms of the descriptors for the smallest eigenvalue of the Laplace eigenvalue problem for this family of domains.

Full work available at URL: https://arxiv.org/abs/2006.01935

Recommendations

• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. III.
• On the scalability of the Schwarz method
• scientific article; zbMATH DE number 1893758
• Continuous analysis of the additive Schwarz method: A stable decomposition inH¹with explicit constants
• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. II

zbMATH Keywords

domain decompositionSchwarz methodconductor-like screening continuum modelCOSMO

Mathematics Subject Classification ID

Eigenvalues, singular values, and eigenvectors (15A18) Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation (35J05)

Cites Work

• Title not available (Why is that?)
• Weakly Differentiable Functions
• Elliptic Partial Differential Equations of Second Order
• Title not available (Why is that?)
• Iterative Methods by Space Decomposition and Subspace Correction
• The method of alternating projections and the method of subspace corrections in Hilbert space
• On Certain Convolution Inequalities
• An introduction to domain decomposition methods. Algorithms, theory, and parallel implementation
• Pointwise Hardy inequalities
• Hardy's inequalities for Sobolev functions
• On Friedrichs--Poincaré-type inequalities
• Mathematical analysis and calculation of molecular surfaces
• A boundary-partition-based Voronoi diagram of \(d\)-dimensional balls: definition, properties, and applications
• On the scalability of classical one-level domain-decomposition methods
• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. III.
• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. II
• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. I
• On the scalability of the Schwarz method

Cited In (6)

• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. I
• Analysis of the parallel Schwarz method for growing chains of fixed-sized subdomains. III.
• Can the discretization modify the performance of Schwarz methods?
• A scalable two-level domain decomposition eigensolver for periodic Schrödinger eigenstates in anisotropically expanding domains
• A domain decomposition method for the polarizable continuum model based on the solvent excluded surface
• On the effect of boundary conditions on the scalability of Schwarz methods

This page was built for publication: Analysis of the Schwarz domain decomposition method for the conductor-like screening continuum model

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5855641)