Error analysis for a potential problem on locally refined grids

DOI10.1007/S002110000189MaRDI QIDQ1587933zbMATH OpenOpenAlexFDO

Authors Takumi Washio, Cornelis W. Oosterlee

Publication date 19 June 2001

Published in Numerische Mathematik (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s002110000189

zbMATH Keywords

biomolecular systemserror analysisfine and coarse gridsGreen functiongrid refinementmultigrid methodsnumerical experimentspotential equation

Mathematics Subject Classification ID

Boundary value problems for second-order elliptic equations (35J25) Finite difference methods for boundary value problems involving PDEs (65N06) Error bounds for boundary value problems involving PDEs (65N15) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Review text

A potential problem arising from modelling biomolecular systems with aqueous solvent is considered. The authors investigate a way to construct an optimal composite grid in the sense that the difference between the analytical and numerical solutions is reasonably small and the computational work is not too large. An interpolation method at the interfaces between the fine and coarse grids based on a conservative discretization of the diffusion term in the potential equation is proposed. Based on an error analysis of the Greens function, the authors discuss the accuracy of the solution energy and give error estimate for this potential problem on a locally refined grid. Based on this analysis, the authors obtain quantative information about optimal grid coarsening towards infinity and on the size of the finest grid. The error analysis developed is confirmed by numerical experiments.

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Cited in

(2)

• A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation
• A fast-adaptive composite grid algorithm for solving the free-space Poisson problem on the cell broadband engine

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