Multigrid solution of the Poisson - Boltzmann equation Export

@article{HoSa93, abstract = {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. {\copyright} 1993 John Wiley \& Sons, Inc.}, address = {Numerical Computing Group, Department of Computer Science, University of Illinois at Urbana-Champaign, 1304 W. Springfield Ave., Urbana, Illinois 61801}, author = {Holst, Michael and Saied, Faisal}, citeulike-article-id = {4215023}, citeulike-linkout-0 = {http://dx.doi.org/10.1002/jcc.540140114}, citeulike-linkout-1 = {http://www3.interscience.wiley.com/cgi-bin/abstract/109582875/ABSTRACT}, doi = {10.1002/jcc.540140114}, journal = {Journal of Computational Chemistry}, keywords = {finite-volume, multigrid, poisson-boltzmann}, number = {1}, pages = {105--113}, posted-at = {2009-03-24 18:14:52}, priority = {2}, title = {Multigrid solution of the Poisson - Boltzmann equation}, url = {http://dx.doi.org/10.1002/jcc.540140114}, volume = {14}, year = {1993} }

TY - JOUR ID - HoSa93 L3 - citeulike-article-id:4215023 N2 - 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. © 1993 John Wiley & Sons, Inc. IS - 1 JF - Journal of Computational Chemistry AD - Numerical Computing Group, Department of Computer Science, University of Illinois at Urbana-Champaign, 1304 W. Springfield Ave., Urbana, Illinois 61801 EP - 113 TI - Multigrid solution of the Poisson - Boltzmann equation VL - 14 SP - 105 KW - finite-volume KW - multigrid KW - poisson-boltzmann AU - Holst, Michael AU - Saied, Faisal PY - 1993/// UR - http://dx.doi.org/10.1002/jcc.540140114 ER -