Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Regularization Methods On Solving Poissons Equation And Poisson Boltzmann Equation With Singular Charge Sources And Diffuse Interfaces
Download Regularization Methods On Solving Poissons Equation And Poisson Boltzmann Equation With Singular Charge Sources And Diffuse Interfaces full books in PDF, epub, and Kindle. Read online Regularization Methods On Solving Poissons Equation And Poisson Boltzmann Equation With Singular Charge Sources And Diffuse Interfaces ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Regularization Methods on Solving Poisson's Equation and Poisson Boltzmann Equation with Singular Charge Sources and Diffuse Interfaces by : Siwen Wang
Download or read book Regularization Methods on Solving Poisson's Equation and Poisson Boltzmann Equation with Singular Charge Sources and Diffuse Interfaces written by Siwen Wang and published by . This book was released on 2021 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt: Numerical treatment of singular charges is a grand challenge in solving Poisson-Boltzmann (PB) equation for analyzing electrostatic interactions between the solute biomolecules and the surrounding solvent with ions. For diffuse interface models in which solute and solvent are separated by a smooth boundary, no effective algorithm for singular charges has been developed, because the fundamental solution with a space dependent dielectric function is intractable. In this research work, regularization formulations are introduced to capture the singularity analytically, which are the first of their kind for diffuse interface Poisson's equation and PB models. The success lies in a dual decomposition -- besides decomposing the potential into Coulomb and reaction field components, the dielectric function is also split into a constant base plus space changing part. Using the constant dielectric base, the Coulomb potential is represented analytically via Green's functions. After removing the singularity, the reaction field potential satisfies a regularized PB equation with a smooth source. Some diffuse interface models including a Gaussian convolution surface (GCS) are also introduced. The GCS efficiently generates a diffuse interface for three-dimensional realistic biomolecules. The performance of the proposed regularization is examined by considering both analytical and GCS diffuse interfaces, and compared with the trilinear method. Moreover, the proposed GCS-regularization algorithm is validated by calculating electrostatic free energies for a set of proteins and by estimating salt affinities for seven protein complexes. The results are consistent with experimental data and estimates of sharp interface PB models.
Book Synopsis Adaptive Pseudo-time Methods for the Poisson-Boltzmann Equation with Eulerian Solvent Excluded Surface by : Benjamin Daniel Jones
Download or read book Adaptive Pseudo-time Methods for the Poisson-Boltzmann Equation with Eulerian Solvent Excluded Surface written by Benjamin Daniel Jones and published by . This book was released on 2021 with total page 58 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work further improves the pseudo-transient approach for the Poisson Boltzmann equation (PBE) in the electrostatic analysis of solvated biomolecules. The numerical solution of the nonlinear PBE is known to involve many difficulties, such as exponential nonlinear term, strong singularity by the source terms, and complex dielectric interface. Recently, a pseudo-time ghost-fluid method (GFM) has been developed in [S. Ahmed Ullah and S. Zhao, Applied Mathematics and Computation, 380, 125267, (2020)], by analytically handling both nonlinearity and singular sources. The GFM interface treatment not only captures the discontinuity in the regularized potential and its flux across the molecular surface, but also guarantees the stability and efficiency of the time integration. However, the molecular surface definition based on the MSMS package is known to induce instability in some cases, and a nontrivial Lagrangian-to-Eulerian conversion is indispensable for the GFM finite difference discretization. In this paper, an Eulerian Solvent Excluded Surface (ESES) is implemented to replace the MSMS for defining the dielectric interface. The electrostatic analysis shows that the ESES free energy is more accurate than that of the MSMS, while being free of instability issues. Moreover, this work explores, for the first time in the PBE literature, adaptive time integration techniques for the pseudo-transient simulations. A major finding is that the time increment Delta t should become smaller as the time increases, in order to maintain the temporal accuracy. This is opposite to the common practice for the steady state convergence, and is believed to be due to the PBE nonlinearity and its time splitting treatment. Effective adaptive schemes have been constructed so that the pseudo-time GFM methods become more efficient than the constant Delta t ones.
Book Synopsis Poisson Equation Solving Program by : William B. Herrmannsfeldt
Download or read book Poisson Equation Solving Program written by William B. Herrmannsfeldt and published by . This book was released on 1965 with total page 38 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Poisson-Boltzmann Equation by : Ralf Blossey
Download or read book The Poisson-Boltzmann Equation written by Ralf Blossey and published by . This book was released on 2023 with total page 0 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. .
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 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 Fast Solution of the Poisson-Boltzmann Equation by the Reduced Basis Method and Range-separated Canonical Tensor Format by : Cleophas Muganda Kweyu
Download or read book Fast Solution of the Poisson-Boltzmann Equation by the Reduced Basis Method and Range-separated Canonical Tensor Format written by Cleophas Muganda Kweyu and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Iterative Methods of Solving Poisson's Equation in Annualar Regions by : Natiq Abdul-Aziz Ahmad
Download or read book Iterative Methods of Solving Poisson's Equation in Annualar Regions written by Natiq Abdul-Aziz Ahmad and published by . This book was released on 1988 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Fundamentals of Inhomogeneous Fluids by : Douglas Henderson
Download or read book Fundamentals of Inhomogeneous Fluids written by Douglas Henderson and published by CRC Press. This book was released on 2021-12-17 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: A monograph examining recent progress in the field of inhomogeneous fluids, focusing on the theoretical - as well as experimental - techniques used. It presents the comprehensive theory of first-order phase transitions, including melting, and contains numerous figures, tables and display equations.;The contributors treat such subjects as: exact sum rules for inhomogenous fluids, explaining density functional and integral equation methods; exact solutions for two-dimensional homogeneous and inhomogeneous plasmas; current advances in the theory of interfacial electrochemistry; wetting experiments and the theory of wetting; freezing, with an emphasis on quantum systems and homogeneous nucleation in liquid-vapour and solid-liquid transitions; self-organizing liquids as well as kinetic phenomena in inhomogeneous fluids, using a modified Enskog theory.;Featuring over 1000 bibliographic citations, this volume is aimed at physical, surface, colloid and surfactant chemists; also physicists, electrochemists and graduate-level students in these disciplines.
Book Synopsis Physiology Or Medicine, 1991-1995 by : Nils Ringertz
Download or read book Physiology Or Medicine, 1991-1995 written by Nils Ringertz and published by World Scientific. This book was released on 1997 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the period 1991 ? 1995, important areas of physiological/medical research being recognized were ion channels in cells, protein phosphorylation, split genes, G-proteins and genetic control of embryonic development. The following is a list of the Nobel laureates for those years, with a description of the works that won them their prizes: (1991) E NEHER & B SAKMANN ? for their discoveries concerning the function of single ion channels in cells; (1992) E H FISCHER & E G KREBS ? for their discoveries concerning reversible protein phosphorylation as a biological regulatory mechanism; (1993) R J ROBERTS & P A SHARP ? for their discoveries of split genes; (1994) A G GILMAN & M RODBELL ? for their discovery of G-proteins and the role of these proteins in signal transduction in cells; (1995) E B LEWIS, C NSSLEIN-VOLHARD & E F WIESCHAUS ? for their discoveries concerning the genetic control of early embryonic development.
Book Synopsis Practical Applied Mathematics by : Sam Howison
Download or read book Practical Applied Mathematics written by Sam Howison and published by Cambridge University Press. This book was released on 2005-03-24 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drawing from a wide variety of mathematical subjects, this book aims to show how mathematics is realised in practice in the everyday world. Dozens of applications are used to show that applied mathematics is much more than a series of academic calculations. Mathematical topics covered include distributions, ordinary and partial differential equations, and asymptotic methods as well as basics of modelling. The range of applications is similarly varied, from the modelling of hair to piano tuning, egg incubation and traffic flow. The style is informal but not superficial. In addition, the text is supplemented by a large number of exercises and sideline discussions, assisting the reader's grasp of the material. Used either in the classroom by upper-undergraduate students, or as extra reading for any applied mathematician, this book illustrates how the reader's knowledge can be used to describe the world around them.
Book Synopsis The Multiple Reciprocity Boundary Element Method by : A. J. Nowak
Download or read book The Multiple Reciprocity Boundary Element Method written by A. J. Nowak and published by WIT Press (UK). This book was released on 1994 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt: The success of the method is reflected in the works carried out by several active groups around the world and presented here in the chapters of the book.
Book Synopsis Nanostructures in Biological Systems by : Aleš Iglič
Download or read book Nanostructures in Biological Systems written by Aleš Iglič and published by CRC Press. This book was released on 2015-06-17 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a survey on the theoretical as well as experimental results on nanostructures in biological systems. It shows how a unifying approach starting from single-particle energy, deriving free energy of the system and determining the equilibrium by minimizing the free energy, can be applied to describe electrical and elastic phenomena. It hel
Book Synopsis Asymptotics and Borel Summability by : Ovidiu Costin
Download or read book Asymptotics and Borel Summability written by Ovidiu Costin and published by CRC Press. This book was released on 2008-12-04 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Incorporating substantial developments from the last thirty years into one resource, Asymptotics and Borel Summability provides a self-contained introduction to asymptotic analysis with special emphasis on topics not covered in traditional asymptotics books. The author explains basic ideas, concepts, and methods of generalized Borel summability, tr
Book Synopsis Electrochemical Impedance Spectroscopy and its Applications by : Andrzej Lasia
Download or read book Electrochemical Impedance Spectroscopy and its Applications written by Andrzej Lasia and published by Springer. This book was released on 2014-06-17 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a complete overview of the powerful but often misused technique of Electrochemical Impedance Spectroscopy (EIS). The book presents a systematic and complete overview of EIS. The book carefully describes EIS and its application in studies of electrocatalytic reactions and other electrochemical processes of practical interest. This book is directed towards graduate students and researchers in Electrochemistry. Concepts are illustrated through detailed graphics and numerous examples. The book also includes practice problems. Additional materials and solutions are available online.
Book Synopsis Worlds of Flow by : Olivier Darrigol
Download or read book Worlds of Flow written by Olivier Darrigol and published by Oxford University Press. This book was released on 2005-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides the first fully-fledged history of hydrodynamics, including lively accounts of the concrete problems of hydraulics, navigation, blood circulation, meteorology, and aeronautics that motivated the main conceptual innovations. Richly illustrated, technically competent, and philosophically sensitive, it should attract a broad audience and become a standard reference for any one interested in fluid mechanics.
