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Multigrid Solution Of The Poisson Boltzmann Equation
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Book Synopsis Multigrid Solution of the Poisson-Boltzmann Equation by : Michael Holst
Download or read book Multigrid Solution of the Poisson-Boltzmann Equation written by Michael Holst and published by . This book was released on 1992 with total page 26 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 two-dimensional 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."
Book Synopsis Solving the Poisson-Boltzmann Equation Using Nonlinear Multigrid Methods by : Ilia Antsiferov
Download or read book Solving the Poisson-Boltzmann Equation Using Nonlinear Multigrid Methods written by Ilia Antsiferov and published by . This book was released on 2006 with total page 63 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Solving the Nonlinear Poisson-Boltzmann Equation Using Multigrid Methods by : Ilia Antsiferov
Download or read book Solving the Nonlinear Poisson-Boltzmann Equation Using Multigrid Methods written by Ilia Antsiferov and published by . This book was released on 2006 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Multilevel Methods for the Poisson-Boltzmann Equation by : Michael Jay Holst
Download or read book Multilevel Methods for the Poisson-Boltzmann Equation written by Michael Jay Holst and published by . This book was released on 1993 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multilevel convergence theory is discussed, and we adapt and apply some recent results to the Galerkin-based methods. Numerical results arepresented for several test problems, including a nonlinear PBE calculation of the electrostatic potential of Superoxide Dismutase, an enzymewhich has recently been linked to Lou Gehrig's disease. We present a collection of performance statistics and benchmarks for the linear andnonlinear methods on a number of sequential and parallel computers, and discuss the software developed in the course of the research."
Book Synopsis Multigrid Solution of the Debye-Hückel Equation by : Benjamin Quanah Parker
Download or read book Multigrid Solution of the Debye-Hückel Equation written by Benjamin Quanah Parker and published by . This book was released on 2013 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Multigrid algorithms are fast solvers for elliptic partial differential equations. In this thesis, we apply multigrid methods to the model of protein charge-regulation of Hollenbeck, et al. The model of protein charge-regulation requires computing work of charging matrices for two low dielectric spheres in a salt solution, which in turn requires many solutions of the linearized Poisson-Boltzmann equation, or the Debye-Hückel equation. We use multigrid methods to reduce the run time of computing solutions to the Debye-Hückel equation, and compare the results of some simple and more complicated examples. Using the work of Brandt and others, we also construct an interpolation scheme that takes the potentially complicated behavior of the coefficient into account."--Abstract.
Book Synopsis Multigrid Solution with Rotated High-order Discretizations for Solving Poisson Equation by : Mohamed Othman
Download or read book Multigrid Solution with Rotated High-order Discretizations for Solving Poisson Equation written by Mohamed Othman and published by . This book was released on 1997 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Solution of Poisson Equation Using Multigrid Methods by : Krishna Prasad M. Varadarajan
Download or read book Solution of Poisson Equation Using Multigrid Methods written by Krishna Prasad M. Varadarajan and published by . This book was released on 1992 with total page 54 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Seventh Copper Mountain Conference on Multigrid Methods by :
Download or read book Seventh Copper Mountain Conference on Multigrid Methods written by and published by . This book was released on 1996 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Parallel Multigrid-based Methods for Calculating Electrostatic Potentials by Solving the Full Nonlinear Poisson-Boltzmann Equation by : Dong Zeng
Download or read book Parallel Multigrid-based Methods for Calculating Electrostatic Potentials by Solving the Full Nonlinear Poisson-Boltzmann Equation written by Dong Zeng and published by . This book was released on 2000 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reviews in Computational Chemistry, Volume 19 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 19 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-10-21 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: Auch Band 19 dieser seit Jahren bewährten und erfolgreichen Reihe führt Neueinsteiger in moderne Forschungsgebiete der Computerchemie ein und hilft Fachleuten, auf dem Laufenden zu bleiben. - international renommierte Fachleute diskutieren Themen aus den Bereichen Molecular modeling, Quantenchemie, computergestütztes Moleküldesign (CAMD), Molekülmechanik und -dynamik sowie QSAR (Quantitative Struktur-Reaktivitäts-Beziehungen) - ausführliche Autoren- und Sachregister erleichtern die Orientierung - Beiträge sind allgemein verständlich geschrieben und enthalten nur das notwendige Minimum an mathematischen Formalismen; dadurch ist die Reihe auch geeignet für Leser, die sich nicht hauptsächlich mit den genannten Fachgebieten beschäftigen
Book Synopsis A Multigrid Algorithm for the Solution of the Poisson Equation by : Bertus Johann Steyn
Download or read book A Multigrid Algorithm for the Solution of the Poisson Equation written by Bertus Johann Steyn and published by . This book was released on 1999 with total page 120 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Science – ICCS 2008 by : Marian Bubak
Download or read book Computational Science – ICCS 2008 written by Marian Bubak and published by Springer. This book was released on 2008-06-25 with total page 1070 pages. Available in PDF, EPUB and Kindle. Book excerpt: The three-volume set LNCS 5101-5103 constitutes the refereed proceedings of the 8th International Conference on Computational Science, ICCS 2008, held in Krakow, Poland in June 2008. The 167 revised papers of the main conference track presented together with the abstracts of 7 keynote talks and the 100 revised papers from 14 workshops were carefully reviewed and selected for inclusion in the three volumes. The main conference track was divided into approximately 20 parallel sessions addressing topics such as e-science applications and systems, scheduling and load balancing, software services and tools, new hardware and its applications, computer networks, simulation of complex systems, image processing and visualization, optimization techniques, numerical linear algebra, and numerical algorithms. The second volume contains workshop papers related to various computational research areas, e.g.: computer graphics and geometric modeling, simulation of multiphysics multiscale systems, computational chemistry and its applications, computational finance and business intelligence, physical, biological and social networks, geocomputation, and teaching computational science. The third volume is mostly related to computer science topics such as bioinformatics' challenges to computer science, tools for program development and analysis in computational science, software engineering for large-scale computing, collaborative and cooperative environments, applications of workflows in computational science, as well as intelligent agents and evolvable systems.
Book Synopsis Numerical Methods for Molecular Dynamics. Progress Report by :
Download or read book Numerical Methods for Molecular Dynamics. Progress Report written by and published by . This book was released on 1991 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three-dimensional problems arising in physics and engineering. In many applications these problems must be solved repeatedly, and the extremely large number of discrete unknowns required to accurately approximate solutions to partial differential equations in three-dimensional regions necessitates the use of efficient solution methods. This situation makes clear the importance of developing methods which are of optimal order (or nearly so), meaning that the number of operations required to solve the discrete problem is on the order of the number of discrete unknowns. Multigrid methods are generally regarded as being in this class of methods, and are in fact provably optimal order for an increasingly large class of problems. The fundamental goal of this research is to develop a fast and accurate numerical technique, based on multi-level principles, for the solutions of the Poisson-Boltzmann equation of molecular biophysics and similar equations occurring in other applications. An outline of the report is as follows. We first present some background material, followed by a survey of the literature on the use of multigrid methods for solving problems similar to the Poisson-Boltzmann equation. A short description of the software we have developed so far is then given, and numerical results are discussed. Finally, our research plans for the coming year are presented.
Book Synopsis Computational Modeling of Membrane Bilayers by : V. Sundararajan
Download or read book Computational Modeling of Membrane Bilayers written by V. Sundararajan and published by Academic Press. This book was released on 2011-08-29 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. *Discusses the current stat of electrostatics in biomolecular simulations and future directions *Includes information on time and length scales in lipid bilayer simulations *Includes a chapter on the nature of lipid rafts
Book Synopsis Domain Decomposition Methods in Scientific and Engineering Computing by : David E. Keyes
Download or read book Domain Decomposition Methods in Scientific and Engineering Computing written by David E. Keyes and published by American Mathematical Soc.. This book was released on 1994 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains proceedings from the Seventh International Conference on Domain Decomposition Methods, held at Pennsylvania State University in October 1993. The term ``domain decomposition'' has for nearly a decade been associated with the partly iterative, partly direct algorithms explored in the proceedings of this conference. Noteworthy trends in the current volume include progress in dealing with so-called ``bad parameters'' in elliptic partial differential equation problems, as well as developments in partial differential equations outside of the elliptically-dominated framework. Also described here are convergence and complexity results for novel discretizations, which bring with them new challenges in the derivation of appropriate operators for coarsened spaces. Implementations and architectural considerations are discussed, as well as partitioning tools and environments. In addition, the book describes a wide array of applications, from semiconductor device simulation to structural mechanics to aerodynamics. Presenting many of the latest results in the field, this book offers readers an up-to-date guide to the many facets of the theory and practice of domain decomposition.
Book Synopsis Enzyme Functionality by : Allan Svendsen
Download or read book Enzyme Functionality written by Allan Svendsen and published by CRC Press. This book was released on 2003-10-28 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: Enzyme Functionality serves as a conduit for trailblazing research in enzyme engineering-relating current understanding of sequence families, the new notion of enzyme structure classes, and modern methods in protein engineering, design, and directed evolution to accelerate the development of novel enzyme functionalities. This reference gathers the diverse perspectives of nearly 80 scientists from around the globe and surveys all leading rational and random approaches to the artificial evolution of enzymes. Citing more than 1500 notable works, it outlines assays for enzyme activity, stability, and specificity and a wide variety of site-directed, redesign, and evolutionary engineering methods.
Author :Yongjie (Jessica) Zhang Publisher :Springer Science & Business Media ISBN 13 :940074255X Total Pages :302 pages Book Rating :4.4/5 (7 download)
Book Synopsis Image-Based Geometric Modeling and Mesh Generation by : Yongjie (Jessica) Zhang
Download or read book Image-Based Geometric Modeling and Mesh Generation written by Yongjie (Jessica) Zhang and published by Springer Science & Business Media. This book was released on 2012-07-03 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a new interdisciplinary research area, “image-based geometric modeling and mesh generation” integrates image processing, geometric modeling and mesh generation with finite element method (FEM) to solve problems in computational biomedicine, materials sciences and engineering. It is well known that FEM is currently well-developed and efficient, but mesh generation for complex geometries (e.g., the human body) still takes about 80% of the total analysis time and is the major obstacle to reduce the total computation time. It is mainly because none of the traditional approaches is sufficient to effectively construct finite element meshes for arbitrarily complicated domains, and generally a great deal of manual interaction is involved in mesh generation. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications. This contributed volume, the first for such an interdisciplinary topic, collects the latest research by experts in this area. These papers cover a broad range of topics, including medical imaging, image alignment and segmentation, image-to-mesh conversion, quality improvement, mesh warping, heterogeneous materials, biomodelcular modeling and simulation, as well as medical and engineering applications.
