Multigrid Solution Of The Debye Huckel Equation

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Multigrid Solution of the Poisson-Boltzmann Equation

Author : Michael Holst
Publisher :
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."

Encyclopedia of Microfluidics and Nanofluidics

Author : Dongqing Li
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.

Reviews in Computational Chemistry, Volume 19

Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0471466646
Total Pages : 419 pages
Book Rating : 4.4/5 (714 download)

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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

Computational Approaches to Biochemical Reactivity

Author : Gábor Náray-Szabó
Publisher : Springer Science & Business Media
ISBN 13 : 0306469340
Total Pages : 386 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Computational Approaches to Biochemical Reactivity by : Gábor Náray-Szabó

Download or read book Computational Approaches to Biochemical Reactivity written by Gábor Náray-Szabó and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: A quantitative description of the action of enzymes and other biological systems is both a challenge and a fundamental requirement for further progress in our und- standing of biochemical processes. This can help in practical design of new drugs and in the development of artificial enzymes as well as in fundamental understanding of the factors that control the activity of biological systems. Structural and biochemical st- ies have yielded major insights about the action of biological molecules and the mechanism of enzymatic reactions. However it is not entirely clear how to use this - portant information in a consistent and quantitative analysis of the factors that are - sponsible for rate acceleration in enzyme active sites. The problem is associated with the fact that reaction rates are determined by energetics (i. e. activation energies) and the available experimental methods by themselves cannot provide a correlation - tween structure and energy. Even mutations of specific active site residues, which are extremely useful, cannot tell us about the totality of the interaction between the active site and the substrate. In fact, short of inventing experiments that allow one to measure the forces in enzyme active sites it is hard to see how can one use a direct experimental approach to unambiguously correlate the structure and function of enzymes. In fact, in view of the complexity of biological systems it seems that only computers can handle the task of providing a quantitative structure-function correlation.

Colloquium on Differential and Difference Equations

Author : Miroslav Bartušek
Publisher :
ISBN 13 :
Total Pages : 326 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Colloquium on Differential and Difference Equations by : Miroslav Bartušek

Download or read book Colloquium on Differential and Difference Equations written by Miroslav Bartušek and published by . This book was released on 2003 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Surfaces of Nanoparticles and Porous Materials

Author : James A. Schwarz
Publisher : CRC Press
ISBN 13 : 9780824746681
Total Pages : 814 pages
Book Rating : 4.7/5 (466 download)

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Book Synopsis Surfaces of Nanoparticles and Porous Materials by : James A. Schwarz

Download or read book Surfaces of Nanoparticles and Porous Materials written by James A. Schwarz and published by CRC Press. This book was released on 1999-01-21 with total page 814 pages. Available in PDF, EPUB and Kindle. Book excerpt: This innovative reference collects state-of-the-art procedures for the construction and design of nanoparticles and porous material while suggesting appropriate areas of application. Presenting both synthesis and characterization protocols, Surfaces of Nanoparticles and Porous Materials contains over 3000 references, tables, equations, drawings, and photographs. It examines the thermodynamics and kinetics of adsorption involving organic and inorganic liquids, solids, and gaseous media.. Topics include characterization, transport processes, diffusion, and the adsorption of heavy metals, ions, proteins, and pharmaceutical organics.

Molecular Biophysics Technical Report

Author :
Publisher :
ISBN 13 :
Total Pages : 58 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis Molecular Biophysics Technical Report by :

Download or read book Molecular Biophysics Technical Report written by and published by . This book was released on 1993 with total page 58 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Reviews in Computational Chemistry, Volume 26

Author : Kenny B. Lipkowitz
Publisher : John Wiley & Sons
ISBN 13 : 0470399538
Total Pages : 570 pages
Book Rating : 4.4/5 (73 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 26 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 26 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2008-11-19 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series is essential in keeping those individuals involved in these fields abreast of recent developments in computational chemistry.

Reduced Basis Methods for Partial Differential Equations

Author : Alfio Quarteroni
Publisher : Springer
ISBN 13 : 3319154311
Total Pages : 305 pages
Book Rating : 4.3/5 (191 download)

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Book Synopsis Reduced Basis Methods for Partial Differential Equations by : Alfio Quarteroni

Download or read book Reduced Basis Methods for Partial Differential Equations written by Alfio Quarteroni and published by Springer. This book was released on 2015-08-19 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a basic introduction to reduced basis (RB) methods for problems involving the repeated solution of partial differential equations (PDEs) arising from engineering and applied sciences, such as PDEs depending on several parameters and PDE-constrained optimization. The book presents a general mathematical formulation of RB methods, analyzes their fundamental theoretical properties, discusses the related algorithmic and implementation aspects, and highlights their built-in algebraic and geometric structures. More specifically, the authors discuss alternative strategies for constructing accurate RB spaces using greedy algorithms and proper orthogonal decomposition techniques, investigate their approximation properties and analyze offline-online decomposition strategies aimed at the reduction of computational complexity. Furthermore, they carry out both a priori and a posteriori error analysis. The whole mathematical presentation is made more stimulating by the use of representative examples of applicative interest in the context of both linear and nonlinear PDEs. Moreover, the inclusion of many pseudocodes allows the reader to easily implement the algorithms illustrated throughout the text. The book will be ideal for upper undergraduate students and, more generally, people interested in scientific computing. All these pseudocodes are in fact implemented in a MATLAB package that is freely available at https://github.com/redbkit

Theoretical Microfluidics

Author : Henrik Bruus
Publisher : Oxford University Press
ISBN 13 : 0191528587
Total Pages : pages
Book Rating : 4.1/5 (915 download)

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Book Synopsis Theoretical Microfluidics by : Henrik Bruus

Download or read book Theoretical Microfluidics written by Henrik Bruus and published by Oxford University Press. This book was released on 2007-09-27 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Microfluidics is a young and rapidly expanding scientific discipline, which deals with fluids and solutions in miniaturized systems, the so-called lab-on-a-chip systems. It has applications in chemical engineering, pharmaceutics, biotechnology and medicine. As the lab-on-a-chip systems grow in complexity, a proper theoretical understanding becomes increasingly important. The basic idea of the book is to provide a self-contained formulation of the theoretical framework of microfluidics, and at the same time give physical motivation and examples from lab-on-a-chip technology. After three chapters introducing microfluidics, the governing equations for mass, momentum and energy, and some basic flow solutions, the following 14 chapters treat hydraulic resistance/compliance, diffusion/dispersion, time-dependent flow, capillarity, electro- and magneto-hydrodynamics, thermal transport, two-phase flow, complex flow patterns and acousto-fluidics, as well as the new fields of opto- and nano-fluidics. Throughout the book simple models with analytical solutions are presented to provide the student with a thorough physical understanding of order of magnitudes and various selected microfluidic phenomena and devices. The book grew out of a set of well-tested lecture notes. It is with its many pedagogical exercises designed as a textbook for an advanced undergraduate or first-year graduate course. It is also well suited for self-study.

Physics of Particles and Nuclei Letters

Author :
Publisher :
ISBN 13 :
Total Pages : 454 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Physics of Particles and Nuclei Letters by :

Download or read book Physics of Particles and Nuclei Letters written by and published by . This book was released on 2005 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Boundary Value Problems of Mathematical Physics

Author : Ivar Stakgold
Publisher : SIAM
ISBN 13 : 1611972388
Total Pages : 1156 pages
Book Rating : 4.6/5 (119 download)

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Book Synopsis Boundary Value Problems of Mathematical Physics by : Ivar Stakgold

Download or read book Boundary Value Problems of Mathematical Physics written by Ivar Stakgold and published by SIAM. This book was released on 2000-06-30 with total page 1156 pages. Available in PDF, EPUB and Kindle. Book excerpt: For more than 30 years, this two-volume set has helped prepare graduate students to use partial differential equations and integral equations to handle significant problems arising in applied mathematics, engineering, and the physical sciences. Originally published in 1967, this graduate-level introduction is devoted to the mathematics needed for the modern approach to boundary value problems using Green's functions and using eigenvalue expansions. Now a part of SIAM's Classics series, these volumes contain a large number of concrete, interesting examples of boundary value problems for partial differential equations that cover a variety of applications that are still relevant today. For example, there is substantial treatment of the Helmholtz equation and scattering theory?subjects that play a central role in contemporary inverse problems in acoustics and electromagnetic theory.

Modern Methods in Collisional-Radiative Modeling of Plasmas

Author : Yuri Ralchenko
Publisher : Springer
ISBN 13 : 3319275143
Total Pages : 220 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Modern Methods in Collisional-Radiative Modeling of Plasmas by : Yuri Ralchenko

Download or read book Modern Methods in Collisional-Radiative Modeling of Plasmas written by Yuri Ralchenko and published by Springer. This book was released on 2016-02-25 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a compact yet comprehensive overview of recent developments in collisional-radiative (CR) modeling of laboratory and astrophysical plasmas. It describes advances across the entire field, from basic considerations of model completeness to validation and verification of CR models to calculation of plasma kinetic characteristics and spectra in diverse plasmas. Various approaches to CR modeling are presented, together with numerous examples of applications. A number of important topics, such as atomic models for CR modeling, atomic data and its availability and quality, radiation transport, non-Maxwellian effects on plasma emission, ionization potential lowering, and verification and validation of CR models, are thoroughly addressed. Strong emphasis is placed on the most recent developments in the field, such as XFEL spectroscopy. Written by leading international research scientists from a number of key laboratories, the book offers a timely summary of the most recent progress in this area. It will be a useful and practical guide for students and experienced researchers working in plasma spectroscopy, spectra simulations, and related fields.

Electrostatics of Soft and Disordered Matter

Author : David S. Dean
Publisher : CRC Press
ISBN 13 : 981441185X
Total Pages : 450 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Electrostatics of Soft and Disordered Matter by : David S. Dean

Download or read book Electrostatics of Soft and Disordered Matter written by David S. Dean and published by CRC Press. This book was released on 2014-05-02 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recently, there has been a surge of activity to elucidate the behavior of highly charged soft matter and Coulomb fluids in general. Such systems are ubiquitous, especially in biological matter where the length scale and the strength of the interaction between highly charged biomolecules are governed by strong electrostatic effects. Several interesting limits have been discovered in the parameter space of highly charged many-particle Coulomb matter where analytical progress is possible and completely novel and unexpected results have been obtained. One of the challenges in highly charged matter is to correctly describe systems with finite coupling strength in the transition regime between weak and strong couplings. After studying the fluctuations of both, several theories have been developed that describe this experimentally highly relevant regime. At the same time, computer simulation algorithms and computing power have advanced to the level where all-ion simulations, including many-body and polarization effects, are possible; the new theories thus can be subjected to numerical confirmation. Another important question is the effect of the structural disorder on electrostatic interactions. It has recently been demonstrated, both theoretically and experimentally, that charge disorder can impose long-range interaction between charged or even uncharged surfaces. These interactions might become very significant in biological processes. Filling a void in the literature, this volume cross-pollinates different theoretical and simulation approaches with new experiments and ties together the low temperature, high coupling constant, and disorder parameters in a unified description of the electrostatic interactions, which largely determine the stability and conformations of most important biological macromolecules. With striking graphical illustrations, the book presents a unified view of the current advances in the field of Coulomb (bio)colloidal systems, building on previous literature that summarized the field over 20 years ago. Leading scientists in the field offer a detailed introduction to different modern methods in statistical physics of Coulomb systems. They detail various approaches to elucidate the behavior of strongly charged soft matter. They also provide experimental and theoretical descriptions of disorder effects in Coulomb systems, which have not been discussed in any other book.

Certified Reduced Basis Methods for Parametrized Partial Differential Equations

Author : Jan S Hesthaven
Publisher : Springer
ISBN 13 : 3319224700
Total Pages : 139 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Certified Reduced Basis Methods for Parametrized Partial Differential Equations by : Jan S Hesthaven

Download or read book Certified Reduced Basis Methods for Parametrized Partial Differential Equations written by Jan S Hesthaven and published by Springer. This book was released on 2015-08-20 with total page 139 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a thorough introduction to the mathematical and algorithmic aspects of certified reduced basis methods for parametrized partial differential equations. Central aspects ranging from model construction, error estimation and computational efficiency to empirical interpolation methods are discussed in detail for coercive problems. More advanced aspects associated with time-dependent problems, non-compliant and non-coercive problems and applications with geometric variation are also discussed as examples.

Continuum Solvation Models in Chemical Physics

Author : Benedetta Mennucci
Publisher : John Wiley & Sons
ISBN 13 : 9780470515228
Total Pages : 636 pages
Book Rating : 4.5/5 (152 download)

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Book Synopsis Continuum Solvation Models in Chemical Physics by : Benedetta Mennucci

Download or read book Continuum Solvation Models in Chemical Physics written by Benedetta Mennucci and published by John Wiley & Sons. This book was released on 2008-02-28 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.

Seawater Intrusion in Coastal Aquifers

Author : Jacob Bear
Publisher : Springer Science & Business Media
ISBN 13 : 9401729697
Total Pages : 652 pages
Book Rating : 4.4/5 (17 download)

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Book Synopsis Seawater Intrusion in Coastal Aquifers by : Jacob Bear

Download or read book Seawater Intrusion in Coastal Aquifers written by Jacob Bear and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt: Coastal aquifers serve as major sources for freshwater supply in many countries around the world, especially in arid and semi-arid zones. Many coastal areas are also heavily urbanized, a fact that makes the need for freshwater even more acute. Coastal aquifers are highly sensitive to disturbances. Inappropriate management of a coastal aquifer may lead to its destruction as a source for freshwater much earlier than other aquifers which are not connected to the sea. The reason is the threat of seawater intrusion. In many coastal aquifers, intrusion of seawater has become one of the major constraints imposed on groundwater utilization. As sea water intrusion progresses, existing pumping wells, especially those close to the coast, become saline and have to be abandoned. Also, the area above the intruding seawater wedge is lost as a source of natural replenishment to the aquifer. Despite the importance of this subject, so far there does not exist a book that integrates our present knowledge of seawater intrusion, its occurrences, physical mechanism, chemistry, exploration by geo physical and geochemical techniques, conceptual and mathematical modeling, analytical and numerical solution methods, engineering measures of combating seawater intrusion, management strategies, and experience learned from case studies. By presenting this fairly comprehensive volume on the state-of-the-art of knowledge and ex perience on saltwater intrusion, we hoped to transfer this body of knowledge to the geologists, hydrologists, hydraulic engineers, water resources planners, managers, and governmental policy makers, who are engaged in the sustainable development of coastal fresh ground water resources.