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."

Download or read book Computation and Applied Mathematics written by and published by . This book was released on 2006 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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.

Download or read book Seventh Copper Mountain Conference on Multigrid Methods written by N. Duane Melson and published by . This book was released on 1996 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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.

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."

Download or read book The Nystrom Method in Electromagnetics written by Mei Song Tong and published by John Wiley & Sons. This book was released on 2020-06-29 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive, step-by-step reference to the Nyström Method for solving Electromagnetic problems using integral equations Computational electromagnetics studies the numerical methods or techniques that solve electromagnetic problems by computer programming. Currently, there are mainly three numerical methods for electromagnetic problems: the finite-difference time-domain (FDTD), finite element method (FEM), and integral equation methods (IEMs). In the IEMs, the method of moments (MoM) is the most widely used method, but much attention is being paid to the Nyström method as another IEM, because it possesses some unique merits which the MoM lacks. This book focuses on that method—providing information on everything that students and professionals working in the field need to know. Written by the top researchers in electromagnetics, this complete reference book is a consolidation of advances made in the use of the Nyström method for solving electromagnetic integral equations. It begins by introducing the fundamentals of the electromagnetic theory and computational electromagnetics, before proceeding to illustrate the advantages unique to the Nyström method through rigorous worked out examples and equations. Key topics include quadrature rules, singularity treatment techniques, applications to conducting and penetrable media, multiphysics electromagnetic problems, time-domain integral equations, inverse scattering problems and incorporation with multilevel fast multiple algorithm. Systematically introduces the fundamental principles, equations, and advantages of the Nyström method for solving electromagnetic problems Features the unique benefits of using the Nyström method through numerical comparisons with other numerical and analytical methods Covers a broad range of application examples that will point the way for future research The Nystrom Method in Electromagnetics is ideal for graduate students, senior undergraduates, and researchers studying engineering electromagnetics, computational methods, and applied mathematics. Practicing engineers and other industry professionals working in engineering electromagnetics and engineering mathematics will also find it to be incredibly helpful.

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:

Download or read book Recent Advances in Numerical Methods for Partial Differential Equations and Applications written by Xiaobing Feng and published by American Mathematical Soc.. This book was released on 2002 with total page 194 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is derived from lectures presented at the 2001 John H. Barrett Memorial Lectures at the University of Tennessee, Knoxville. The topic was computational mathematics, focusing on parallel numerical algorithms for partial differential equations, their implementation and applications in fluid mechanics and material science. Compiled here are articles from six of nine speakers. Each of them is a leading researcher in the field of computational mathematics and its applications. A vast area that has been coming into its own over the past 15 years, computational mathematics has experienced major developments in both algorithmic advances and applications to other fields. These developments have had profound implications in mathematics, science, engineering and industry. With the aid of powerful high performance computers, numerical simulation of physical phenomena is the only feasible method for analyzing many types of important phenomena, joining experimentation and theoretical analysis as the third method of scientific investigation. The three aspects: applications, theory, and computer implementation comprise a comprehensive overview of the topic. Leading lecturers were Mary Wheeler on applications, Jinchao Xu on theory, and David Keyes on computer implementation. Following the tradition of the Barrett Lectures, these in-depth articles and expository discussions make this book a useful reference for graduate students as well as the many groups of researchers working in advanced computations, including engineering and computer scientists.

Download or read book Computational Methods for Macromolecules Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.

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:

Download or read book Adaptive Multilevel Numerical Methods with Applications in Diffusive Biomolecular Reactions written by Burak Aksoylu and published by . This book was released on 2001 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Multilevel Projection Methods for Partial Differential Equations written by Stephen F. McCormick and published by SIAM. This book was released on 1992-01-01 with total page 138 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics of Computing -- Numerical Analysis.

Download or read book Reviews in Computational Chemistry Volume 21 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2005-05-06 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." --JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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:

Download or read book Green s Functions and Boundary Value Problems written by Ivar Stakgold and published by John Wiley & Sons. This book was released on 2011-03-01 with total page 883 pages. Available in PDF, EPUB and Kindle. Book excerpt: Praise for the Second Edition "This book is an excellent introduction to the wide field of boundary value problems."—Journal of Engineering Mathematics "No doubt this textbook will be useful for both students and research workers."—Mathematical Reviews A new edition of the highly-acclaimed guide to boundary value problems, now featuring modern computational methods and approximation theory Green's Functions and Boundary Value Problems, Third Edition continues the tradition of the two prior editions by providing mathematical techniques for the use of differential and integral equations to tackle important problems in applied mathematics, the physical sciences, and engineering. This new edition presents mathematical concepts and quantitative tools that are essential for effective use of modern computational methods that play a key role in the practical solution of boundary value problems. With a careful blend of theory and applications, the authors successfully bridge the gap between real analysis, functional analysis, nonlinear analysis, nonlinear partial differential equations, integral equations, approximation theory, and numerical analysis to provide a comprehensive foundation for understanding and analyzing core mathematical and computational modeling problems. Thoroughly updated and revised to reflect recent developments, the book includes an extensive new chapter on the modern tools of computational mathematics for boundary value problems. The Third Edition features numerous new topics, including: Nonlinear analysis tools for Banach spaces Finite element and related discretizations Best and near-best approximation in Banach spaces Iterative methods for discretized equations Overview of Sobolev and Besov space linear Methods for nonlinear equations Applications to nonlinear elliptic equations In addition, various topics have been substantially expanded, and new material on weak derivatives and Sobolev spaces, the Hahn-Banach theorem, reflexive Banach spaces, the Banach Schauder and Banach-Steinhaus theorems, and the Lax-Milgram theorem has been incorporated into the book. New and revised exercises found throughout allow readers to develop their own problem-solving skills, and the updated bibliographies in each chapter provide an extensive resource for new and emerging research and applications. With its careful balance of mathematics and meaningful applications, Green's Functions and Boundary Value Problems, Third Edition is an excellent book for courses on applied analysis and boundary value problems in partial differential equations at the graduate level. It is also a valuable reference for mathematicians, physicists, engineers, and scientists who use applied mathematics in their everyday work.

Download or read book Tensor Numerical Methods in Quantum Chemistry written by Venera Khoromskaia and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-06-11 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: The conventional numerical methods when applied to multidimensional problems suffer from the so-called "curse of dimensionality", that cannot be eliminated by using parallel architectures and high performance computing. The novel tensor numerical methods are based on a "smart" rank-structured tensor representation of the multivariate functions and operators discretized on Cartesian grids thus reducing solution of the multidimensional integral-differential equations to 1D calculations. We explain basic tensor formats and algorithms and show how the orthogonal Tucker tensor decomposition originating from chemometrics made a revolution in numerical analysis, relying on rigorous results from approximation theory. Benefits of tensor approach are demonstrated in ab-initio electronic structure calculations. Computation of the 3D convolution integrals for functions with multiple singularities is replaced by a sequence of 1D operations, thus enabling accurate MATLAB calculations on a laptop using 3D uniform tensor grids of the size up to 1015. Fast tensor-based Hartree-Fock solver, incorporating the grid-based low-rank factorization of the two-electron integrals, serves as a prerequisite for economical calculation of the excitation energies of molecules. Tensor approach suggests efficient grid-based numerical treatment of the long-range electrostatic potentials on large 3D finite lattices with defects.The novel range-separated tensor format applies to interaction potentials of multi-particle systems of general type opening the new prospects for tensor methods in scientific computing. This research monograph presenting the modern tensor techniques applied to problems in quantum chemistry may be interesting for a wide audience of students and scientists working in computational chemistry, material science and scientific computing.