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Multigrid solution of the Poisson—Boltzmann equation

✍ Scribed by Michael Holst; Faisal Saied

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
881 KB
Volume
14
Category
Article
ISSN
0192-8651

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✦ Synopsis

A multigrid method is presented for the numerical solution of the linearized Poisson-Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques originally developed for twodimensional interface problems occurring in reactor physics. A detailed analysis of the resulting method is presented for several computer architectures, including comparisons to diagonally scaled CG, ICCG, vectorized ICCG and MICCG, and to SOR provided with an optimal relaxation parameter. Our results indicate that the multigrid method is superior to the preconditioned CG methods and SOR and that the advantage of multigrid grows with the problem size.

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