Solving the Poisson-Boltzmann Equation Using Nonlinear Multigrid Methods

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ISBN 13 :
Total Pages : 63 pages
Book Rating : 4.:/5 (951 download)

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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:

Solving the Nonlinear Poisson-Boltzmann Equation Using Multigrid Methods

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ISBN 13 :
Total Pages : 126 pages
Book Rating : 4.:/5 (234 download)

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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:

Multigrid Solution of the Poisson-Boltzmann Equation

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ISBN 13 :
Total Pages : 26 pages
Book Rating : 4.:/5 (31 download)

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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."

Parallel Multigrid-based Methods for Calculating Electrostatic Potentials by Solving the Full Nonlinear Poisson-Boltzmann Equation

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ISBN 13 :
Total Pages : 164 pages
Book Rating : 4.:/5 (497 download)

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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:

Multilevel Methods for the Poisson-Boltzmann Equation

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ISBN 13 :
Total Pages : 564 pages
Book Rating : 4.:/5 (31 download)

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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."

Solution of Poisson Equation Using Multigrid Methods

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ISBN 13 :
Total Pages : 54 pages
Book Rating : 4.:/5 (291 download)

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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:

Encyclopedia of Microfluidics and Nanofluidics

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Publisher : Springer Science & Business Media
ISBN 13 : 0387324682
Total Pages : 2242 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Encyclopedia of Microfluidics and Nanofluidics by : Dongqing Li

Download or read book Encyclopedia of Microfluidics and Nanofluidics written by Dongqing Li and published by Springer Science & Business Media. This book was released on 2008-08-06 with total page 2242 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering all aspects of transport phenomena on the nano- and micro-scale, this encyclopedia features over 750 entries in three alphabetically-arranged volumes including the most up-to-date research, insights, and applied techniques across all areas. Coverage includes electrical double-layers, optofluidics, DNC lab-on-a-chip, nanosensors, and more.

Numerical Methods for Molecular Dynamics. Progress Report

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ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (727 download)

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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.

The Poisson-Boltzmann Equation

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Publisher : Springer Nature
ISBN 13 : 3031247825
Total Pages : 113 pages
Book Rating : 4.0/5 (312 download)

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Book Synopsis The Poisson-Boltzmann Equation by : Ralf Blossey

Download or read book The Poisson-Boltzmann Equation written by Ralf Blossey and published by Springer Nature. This book was released on 2023-02-23 with total page 113 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief book introduces the Poisson-Boltzmann equation in three chapters that build upon one another, offering a systematic entry to advanced students and researchers. Chapter one formulates the equation and develops the linearized version of Debye-Hückel theory as well as exact solutions to the nonlinear equation in simple geometries and generalizations to higher-order equations. Chapter two introduces the statistical physics approach to the Poisson-Boltzmann equation. It allows the treatment of fluctuation effects, treated in the loop expansion, and in a variational approach. First applications are treated in detail: the problem of the surface tension under the addition of salt, a classic problem discussed by Onsager and Samaras in the 1930s, which is developed in modern terms within the loop expansion, and the adsorption of a charged polymer on a like-charged surface within the variational approach. Chapter three finally discusses the extension of Poisson-Boltzmann theory to explicit solvent. This is done in two ways: on the phenomenological level of nonlocal electrostatics and with a statistical physics model that treats the solvent molecules as molecular dipoles. This model is then treated in the mean-field approximation and with the variational method introduced in Chapter two, rounding up the development of the mathematical approaches of Poisson-Boltzmann theory. After studying this book, a graduate student will be able to access the research literature on the Poisson-Boltzmann equation with a solid background.

Using Pseudo Transient Continuation and the Finite Element Method to Solve the Nonlinear Poisson-Boltzmann Equation

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (682 download)

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Book Synopsis Using Pseudo Transient Continuation and the Finite Element Method to Solve the Nonlinear Poisson-Boltzmann Equation by :

Download or read book Using Pseudo Transient Continuation and the Finite Element Method to Solve the Nonlinear Poisson-Boltzmann Equation written by and published by . This book was released on 2000 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The nonlinear Poisson-Boltzmann (PB) equation is solved using Pseudo Transient Continuation. The PB solver is constructed by modifying the nonlinear diffusion module of a 3D, massively parallel, unstructured-grid, finite element, radiation-hydrodynamics code. The solver also computes the electrostatic energy and evaluates the force on a user-specified contour. Either Dirichlet or mixed boundary conditions are allowed. The latter specifies surface charges, approximates far-field conditions, or linearizes conditions ''regulating'' the surface charge. The code may be run in either Cartesian, cylindrical, or spherical coordinates. The potential and force due to a conical probe interacting with a flat plate is computed and the result compared with direct force measurements by chemical force microscopy.

Non-Linear Lattice

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Publisher : MDPI
ISBN 13 : 3038423068
Total Pages : 291 pages
Book Rating : 4.0/5 (384 download)

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Book Synopsis Non-Linear Lattice by : Ignazio Licata and Sauro Succi

Download or read book Non-Linear Lattice written by Ignazio Licata and Sauro Succi and published by MDPI. This book was released on 2018-07-17 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Non-Linear Lattice" that was published in Entropy

Solving Poisson Equation Using Multigrid Method (W-Cycle)

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ISBN 13 :
Total Pages : 264 pages
Book Rating : 4.:/5 (958 download)

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Book Synopsis Solving Poisson Equation Using Multigrid Method (W-Cycle) by : Kah Loon Chan

Download or read book Solving Poisson Equation Using Multigrid Method (W-Cycle) written by Kah Loon Chan and published by . This book was released on 2006 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Solving Poisson Equation Using Multigrid Method V Cycle

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ISBN 13 :
Total Pages : 232 pages
Book Rating : 4.:/5 (958 download)

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Book Synopsis Solving Poisson Equation Using Multigrid Method V Cycle by : Wang Chean Tan

Download or read book Solving Poisson Equation Using Multigrid Method V Cycle written by Wang Chean Tan and published by . This book was released on 2006 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Computational Science – ICCS 2008

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Publisher : Springer
ISBN 13 : 354069384X
Total Pages : 1070 pages
Book Rating : 4.5/5 (46 download)

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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.

Domain Decomposition Methods in Scientific and Engineering Computing

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Publisher : American Mathematical Soc.
ISBN 13 : 0821851713
Total Pages : 578 pages
Book Rating : 4.8/5 (218 download)

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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.

Direct Methods for Solving the Boltzmann Equation and Study of Nonequilibrium Flows

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Publisher : Springer Science & Business Media
ISBN 13 : 9401008663
Total Pages : 305 pages
Book Rating : 4.4/5 (1 download)

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Book Synopsis Direct Methods for Solving the Boltzmann Equation and Study of Nonequilibrium Flows by : V.V. Aristov

Download or read book Direct Methods for Solving the Boltzmann Equation and Study of Nonequilibrium Flows written by V.V. Aristov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is concerned with the methods of solving the nonlinear Boltz mann equation and of investigating its possibilities for describing some aerodynamic and physical problems. This monograph is a sequel to the book 'Numerical direct solutions of the kinetic Boltzmann equation' (in Russian) which was written with F. G. Tcheremissine and published by the Computing Center of the Russian Academy of Sciences some years ago. The main purposes of these two books are almost similar, namely, the study of nonequilibrium gas flows on the basis of direct integration of the kinetic equations. Nevertheless, there are some new aspects in the way this topic is treated in the present monograph. In particular, attention is paid to the advantages of the Boltzmann equation as a tool for considering nonequi librium, nonlinear processes. New fields of application of the Boltzmann equation are also described. Solutions of some problems are obtained with higher accuracy. Numerical procedures, such as parallel computing, are in vestigated for the first time. The structure and the contents of the present book have some com mon features with the monograph mentioned above, although there are new issues concerning the mathematical apparatus developed so that the Boltzmann equation can be applied for new physical problems. Because of this some chapters have been rewritten and checked again and some new chapters have been added.

Multigrid Solution of the Debye-Hückel Equation

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ISBN 13 :
Total Pages : 104 pages
Book Rating : 4.:/5 (894 download)

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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.