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Poisson Boltzmann Methods
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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."
Book Synopsis Simplified And Highly Stable Lattice Boltzmann Method: Theory And Applications by : Zhen Chen
Download or read book Simplified And Highly Stable Lattice Boltzmann Method: Theory And Applications written by Zhen Chen and published by World Scientific. This book was released on 2020-09-15 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique professional volume is about the recent advances in the lattice Boltzmann method (LBM). It introduces a new methodology, namely the simplified and highly stable lattice Boltzmann method (SHSLBM), for constructing numerical schemes within the lattice Boltzmann framework. Through rigorous mathematical derivations and abundant numerical validations, the SHSLBM is found to outperform the conventional LBM in terms of memory cost, boundary treatment and numerical stability.This must-have title provides every necessary detail of the SHSLBM and sample codes for implementation. It is a useful handbook for scholars, researchers, professionals and students who are keen to learn, employ and further develop this novel numerical method.
Book Synopsis The Lattice Boltzmann Equation: For Complex States of Flowing Matter by : Sauro Succi
Download or read book The Lattice Boltzmann Equation: For Complex States of Flowing Matter written by Sauro Succi and published by Oxford University Press. This book was released on 2018-04-13 with total page 784 pages. Available in PDF, EPUB and Kindle. Book excerpt: Flowing matter is all around us, from daily-life vital processes (breathing, blood circulation), to industrial, environmental, biological, and medical sciences. Complex states of flowing matter are equally present in fundamental physical processes, far remote from our direct senses, such as quantum-relativistic matter under ultra-high temperature conditions (quark-gluon plasmas). Capturing the complexities of such states of matter stands as one of the most prominent challenges of modern science, with multiple ramifications to physics, biology, mathematics, and computer science. As a result, mathematical and computational techniques capable of providing a quantitative account of the way that such complex states of flowing matter behave in space and time are becoming increasingly important. This book provides a unique description of a major technique, the Lattice Boltzmann method to accomplish this task. The Lattice Boltzmann method has gained a prominent role as an efficient computational tool for the numerical simulation of a wide variety of complex states of flowing matter across a broad range of scales; from fully-developed turbulence, to multiphase micro-flows, all the way down to nano-biofluidics and lately, even quantum-relativistic sub-nuclear fluids. After providing a self-contained introduction to the kinetic theory of fluids and a thorough account of its transcription to the lattice framework, this text provides a survey of the major developments which have led to the impressive growth of the Lattice Boltzmann across most walks of fluid dynamics and its interfaces with allied disciplines. Included are recent developments of Lattice Boltzmann methods for non-ideal fluids, micro- and nanofluidic flows with suspended bodies of assorted nature and extensions to strong non-equilibrium flows beyond the realm of continuum fluid mechanics. In the final part, it presents the extension of the Lattice Boltzmann method to quantum and relativistic matter, in an attempt to match the major surge of interest spurred by recent developments in the area of strongly interacting holographic fluids, such as electron flows in graphene.
Book Synopsis Interface Method and Green's Function Based Poisson Boltzmann Equation Solver and Interface Technique Based Molecular Dynamics by : Weihua Geng
Download or read book Interface Method and Green's Function Based Poisson Boltzmann Equation Solver and Interface Technique Based Molecular Dynamics written by Weihua Geng and published by . This book was released on 2008 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Optimal Homotopy Asymptotic Method by : Vasile Marinca
Download or read book The Optimal Homotopy Asymptotic Method written by Vasile Marinca and published by Springer. This book was released on 2015-04-02 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book emphasizes in detail the applicability of the Optimal Homotopy Asymptotic Method to various engineering problems. It is a continuation of the book “Nonlinear Dynamical Systems in Engineering: Some Approximate Approaches”, published at Springer in 2011 and it contains a great amount of practical models from various fields of engineering such as classical and fluid mechanics, thermodynamics, nonlinear oscillations, electrical machines and so on. The main structure of the book consists of 5 chapters. The first chapter is introductory while the second chapter is devoted to a short history of the development of homotopy methods, including the basic ideas of the Optimal Homotopy Asymptotic Method. The last three chapters, from Chapter 3 to Chapter 5, are introducing three distinct alternatives of the Optimal Homotopy Asymptotic Method with illustrative applications to nonlinear dynamical systems. The third chapter deals with the first alternative of our approach with two iterations. Five applications are presented from fluid mechanics and nonlinear oscillations. The Chapter 4 presents the Optimal Homotopy Asymptotic Method with a single iteration and solving the linear equation on the first approximation. Here are treated 32 models from different fields of engineering such as fluid mechanics, thermodynamics, nonlinear damped and undamped oscillations, electrical machines and even from physics and biology. The last chapter is devoted to the Optimal Homotopy Asymptotic Method with a single iteration but without solving the equation in the first approximation.
Book Synopsis An Introduction to Aqueous Electrolyte Solutions by : Margaret Robson Wright
Download or read book An Introduction to Aqueous Electrolyte Solutions written by Margaret Robson Wright and published by John Wiley & Sons. This book was released on 2007-06-05 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to Aqueous Electrolyte Solutions is a comprehensive coverage of the subject including the development of key concepts and theory that focus on the physical rather than the mathematical aspects. Important links are made between the study of electrolyte solutions and other branches of chemistry, biology, and biochemistry, making it a useful cross-reference tool for students studying this important area of electrochemistry. Carefully developed throughout, each chapter includes intended learning outcomes and worked problems and examples to encourage student understanding of this multidisciplinary subject. * a comprehensive introduction to aqueous electrolyte solutions including the development of key concepts and theories * emphasises the connection between observable macroscopic experimental properties and interpretations made at the molecular level * key developments in concepts and theory explained in a descriptive manner to encourage student understanding * includes worked problems and examples throughout An invaluable text for students taking courses in chemistry and chemical engineering, this book will also be useful for biology, biochemistry and biophysics students required to study electrochemistry.
Book Synopsis The Boltzmann Equation by : E.G.D. Cohen
Download or read book The Boltzmann Equation written by E.G.D. Cohen and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 647 pages. Available in PDF, EPUB and Kindle. Book excerpt: In,1872, Boltzmann published a paper which for the first time provided a precise mathematical basis for a discussion of the approach to equilibrium. The paper dealt with the approach to equilibrium of a dilute gas and was based on an equation - the Boltzmann equation, as we call it now - for the velocity distribution function of such ~ gas. The Boltzmann equation still forms the basis of the kinetic theory of gases and has proved fruitful not only for the classical gases Boltzmann had in mind, but als- if properly generalized - for the electron gas in a solid and the excitation gas in a superfluid. Therefore it was felt by many of us that the Boltzmann equation was of sufficient interest, even today, to warrant a meeting, in which a review of its present status would be undertaken. Since Boltzmann had spent a good part of his life in Vienna, this city seemed to be a natural setting for such a meeting. The first day was devoted to historical lectures, since it was generally felt that apart from their general interest, they would furnish a good introduction to the subsequent scientific sessions. We are very much indebted to Dr. D.
Book Synopsis Lattice Boltzmann Method by : Abdulmajeed A. Mohamad
Download or read book Lattice Boltzmann Method written by Abdulmajeed A. Mohamad and published by . This book was released on 2019 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the Lattice Boltzmann Method in a readable manner, this book provides detailed examples with complete computer codes. It avoids the most complicated mathematics and physics without scarifying the basic fundamentals of the method.
Book Synopsis Many-Body Effects and Electrostatics in Biomolecules by : Qiang Cui
Download or read book Many-Body Effects and Electrostatics in Biomolecules written by Qiang Cui and published by CRC Press. This book was released on 2016-03-30 with total page 590 pages. Available in PDF, EPUB and Kindle. Book excerpt: As computational hardware continues to develop at a rapid pace, quantitative computations are playing an increasingly essential role in the study of biomolecular systems. One of the most important challenges that the field faces is to develop the next generation of computational models that strike the proper balance of computational efficiency and
Book Synopsis Computational Methods for Electromagnetic Phenomena by : Wei Cai
Download or read book Computational Methods for Electromagnetic Phenomena written by Wei Cai and published by Cambridge University Press. This book was released on 2013-01-03 with total page 463 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book of its kind to cover a wide range of computational methods for electromagnetic phenomena, from atomistic to continuum scales, this integrated and balanced treatment of mathematical formulations, algorithms and the underlying physics enables us to engage in innovative and advanced interdisciplinary computational research.
Book Synopsis Molecular Biophysics by : Michel Daune
Download or read book Molecular Biophysics written by Michel Daune and published by Oxford University Press, USA. This book was released on 1999 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new textbook offers a comprehensive introduction to the molecular physics of biological systems: it seeks to explain how the laws and concepts of physics apply to the living world at the molecular and subcellular level, with an emphasis on electrical and dynamical behaviour. The book is organized into five parts: * conformation of biopolymers * dynamics of biopolymers * hydration of biopolymers * biopolymers as polyelectrolytes *association between molecules The author adopts a multi-disciplinary approach and limits mathematics only to what is strictly necessary for the development of the subject. The text should be suitable for students from a wide range of backgrounds in biology, physics or chemistry taking advanced courses in molecular biophysics or biophysical chemistry.
Book Synopsis Computational Chemistry Methods in Structural Biology by : Christo Christov
Download or read book Computational Chemistry Methods in Structural Biology written by Christo Christov and published by Academic Press. This book was released on 2011-09-23 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology
Book Synopsis Optimal Auxiliary Functions Method for Nonlinear Dynamical Systems by : Vasile Marinca
Download or read book Optimal Auxiliary Functions Method for Nonlinear Dynamical Systems written by Vasile Marinca and published by Springer Nature. This book was released on 2021-07-14 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the optimal auxiliary functions method and applies it to various engineering problems and in particular in boundary layer problems. The cornerstone of the presented procedure is the concept of “optimal auxiliary functions” which are needed to obtain accurate results in an efficient way. Unlike other known analytic approaches, this procedure provides us with a simple but rigorous way to control and adjust the convergence of the solutions of nonlinear dynamical systems. The optimal auxiliary functions are depending on some convergence-control parameters whose optimal values are rigorously determined from mathematical point of view. The capital strength of our procedure is its fast convergence, since after only one iteration, we obtain very accurate analytical solutions which are very easy to be verified. Moreover, no simplifying hypothesis or assumptions are made. The book contains a large amount of practical models from various fields of engineering such as classical and fluid mechanics, thermodynamics, nonlinear oscillations, electrical machines, and many more. The book is a continuation of our previous books “Nonlinear Dynamical Systems in Engineering. Some Approximate Approaches”, Springer-2011 and “The Optimal Homotopy Asymptotic Method. Engineering Applications”, Springer-2015.
Book Synopsis Multiphase Lattice Boltzmann Methods by : Haibo Huang
Download or read book Multiphase Lattice Boltzmann Methods written by Haibo Huang and published by John Wiley & Sons. This book was released on 2015-06-08 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theory and Application of Multiphase Lattice Boltzmann Methods presents a comprehensive review of all popular multiphase Lattice Boltzmann Methods developed thus far and is aimed at researchers and practitioners within relevant Earth Science disciplines as well as Petroleum, Chemical, Mechanical and Geological Engineering. Clearly structured throughout, this book will be an invaluable reference on the current state of all popular multiphase Lattice Boltzmann Methods (LBMs). The advantages and disadvantages of each model are presented in an accessible manner to enable the reader to choose the model most suitable for the problems they are interested in. The book is targeted at graduate students and researchers who plan to investigate multiphase flows using LBMs. Throughout the text most of the popular multiphase LBMs are analyzed both theoretically and through numerical simulation. The authors present many of the mathematical derivations of the models in greater detail than is currently found in the existing literature. The approach to understanding and classifying the various models is principally based on simulation compared against analytical and observational results and discovery of undesirable terms in the derived macroscopic equations and sometimes their correction. A repository of FORTRAN codes for multiphase LBM models is also provided.
Book Synopsis Numerical Computer Methods, Part D by :
Download or read book Numerical Computer Methods, Part D written by and published by Elsevier. This book was released on 2004-05-25 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of Numerical Computer Methods, Part D is to brief researchers of the importance of data analysis in enzymology, and of the modern methods that have developed concomitantly with computer hardware. It is also to validate researchers' computer programs with real and synthetic data to ascertain that the results produced are what they expected. Selected Contents: Prediction of protein structure Modeling and studying proteins with molecular dynamics Statistical error in isothermal titration calorimetry Analysis of circular dichroism data Model comparison methods
Book Synopsis Deterministic Solvers for the Boltzmann Transport Equation by : Sung-Min Hong
Download or read book Deterministic Solvers for the Boltzmann Transport Equation written by Sung-Min Hong and published by Springer Science & Business Media. This book was released on 2011-07-31 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers all aspects from the expansion of the Boltzmann transport equation with harmonic functions to application to devices, where transport in the bulk and in inversion layers is considered. The important aspects of stabilization and band structure mapping are discussed in detail. This is done not only for the full band structure of the 3D k-space, but also for the warped band structure of the quasi 2D hole gas. Efficient methods for building the Schrödinger equation for arbitrary surface or strain directions, gridding of the 2D k-space and solving it together with the other two equations are presented.
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."
