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Author: Tamar Schlick
Publisher: Springer Science & Business Media
ISBN: 3642560806
Category : Mathematics
Languages : en
Pages : 504
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Book Description
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.
Author: Tamar Schlick
Publisher: Springer Science & Business Media
ISBN: 3642560806
Category : Mathematics
Languages : en
Pages : 504
Get Book Here
Book Description
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.
Author: John A. Trangenstein
Publisher: Springer
ISBN: 3319691104
Category : Mathematics
Languages : en
Pages : 612
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Book Description
This is the third of three volumes providing a comprehensive presentation of the fundamentals of scientific computing. This volume discusses topics that depend more on calculus than linear algebra, in order to prepare the reader for solving differential equations. This book and its companions show how to determine the quality of computational results, and how to measure the relative efficiency of competing methods. Readers learn how to determine the maximum attainable accuracy of algorithms, and how to select the best method for computing problems. This book also discusses programming in several languages, including C++, Fortran and MATLAB. There are 90 examples, 200 exercises, 36 algorithms, 40 interactive JavaScript programs, 91 references to software programs and 1 case study. Topics are introduced with goals, literature references and links to public software. There are descriptions of the current algorithms in GSLIB and MATLAB. This book could be used for a second course in numerical methods, for either upper level undergraduates or first year graduate students. Parts of the text could be used for specialized courses, such as nonlinear optimization or iterative linear algebra.
Author: Bertil Gustafsson
Publisher: Springer
ISBN: 3319698478
Category : Mathematics
Languages : en
Pages : 271
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Book Description
This book explores the most significant computational methods and the history of their development. It begins with the earliest mathematical / numerical achievements made by the Babylonians and the Greeks, followed by the period beginning in the 16th century. For several centuries the main scientific challenge concerned the mechanics of planetary dynamics, and the book describes the basic numerical methods of that time. In turn, at the end of the Second World War scientific computing took a giant step forward with the advent of electronic computers, which greatly accelerated the development of numerical methods. As a result, scientific computing became established as a third scientific method in addition to the two traditional branches: theory and experimentation. The book traces numerical methods’ journey back to their origins and to the people who invented them, while also briefly examining the development of electronic computers over the years. Featuring 163 references and more than 100 figures, many of them portraits or photos of key historical figures, the book provides a unique historical perspective on the general field of scientific computing – making it a valuable resource for all students and professionals interested in the history of numerical analysis and computing, and for a broader readership alike.
Author: Rémi Abgrall
Publisher: Springer
ISBN: 3319054554
Category : Mathematics
Languages : en
Pages : 220
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Book Description
This book collects papers presented during the European Workshop on High Order Nonlinear Numerical Methods for Evolutionary PDEs (HONOM 2013) that was held at INRIA Bordeaux Sud-Ouest, Talence, France in March, 2013. The central topic is high order methods for compressible fluid dynamics. In the workshop, and in this proceedings, greater emphasis is placed on the numerical than the theoretical aspects of this scientific field. The range of topics is broad, extending through algorithm design, accuracy, large scale computing, complex geometries, discontinuous Galerkin, finite element methods, Lagrangian hydrodynamics, finite difference methods and applications and uncertainty quantification. These techniques find practical applications in such fields as fluid mechanics, magnetohydrodynamics, nonlinear solid mechanics, and others for which genuinely nonlinear methods are needed.
Author: Hans-Joachim Bungartz
Publisher: Springer Nature
ISBN: 3030479560
Category : Computers
Languages : en
Pages : 624
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Book Description
This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.
Author: Oliver Sander
Publisher: Springer Nature
ISBN: 3030597024
Category : Computers
Languages : en
Pages : 616
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Book Description
The Distributed and Unified Numerics Environment (Dune) is a set of open-source C++ libraries for the implementation of finite element and finite volume methods. Over the last 15 years it has become one of the most commonly used libraries for the implementation of new, efficient simulation methods in science and engineering. Describing the main Dune libraries in detail, this book covers access to core features like grids, shape functions, and linear algebra, but also higher-level topics like function space bases and assemblers. It includes extensive information on programmer interfaces, together with a wealth of completed examples that illustrate how these interfaces are used in practice. After having read the book, readers will be prepared to write their own advanced finite element simulators, tapping the power of Dune to do so.
Author: Vladimir A. Garanzha
Publisher: Springer Nature
ISBN: 3030234363
Category : Mathematics
Languages : en
Pages : 322
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Book Description
The focus of these conference proceedings is on research, development, and applications in the fields of numerical geometry, scientific computing and numerical simulation, particularly in mesh generation and related problems. In addition, this year’s special focus is on Voronoi diagrams and their applications, celebrating the 150th birthday of G.F. Voronoi. In terms of content, the book strikes a balance between engineering algorithms and mathematical foundations. It presents an overview of recent advances in numerical geometry, grid generation and adaptation in terms of mathematical foundations, algorithm and software development and applications. The specific topics covered include: quasi-conformal and quasi-isometric mappings, hyperelastic deformations, multidimensional generalisations of the equidistribution principle, discrete differential geometry, spatial and metric encodings, Voronoi-Delaunay theory for tilings and partitions, duality in mathematical programming and numerical geometry, mesh-based optimisation and optimal control methods. Further aspects examined include iterative solvers for variational problems and algorithm and software development. The applications of the methods discussed are multidisciplinary and include problems from mathematics, physics, biology, chemistry, material science, and engineering.
Author: Tarek Mathew
Publisher: Springer Science & Business Media
ISBN: 354077209X
Category : Mathematics
Languages : en
Pages : 775
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Book Description
Domain decomposition methods are divide and conquer computational methods for the parallel solution of partial differential equations of elliptic or parabolic type. The methodology includes iterative algorithms, and techniques for non-matching grid discretizations and heterogeneous approximations. This book serves as a matrix oriented introduction to domain decomposition methodology. A wide range of topics are discussed include hybrid formulations, Schwarz, and many more.
Author: Björn Engquist
Publisher: Springer Science & Business Media
ISBN: 3540888578
Category : Computers
Languages : en
Pages : 332
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Book Description
Most problems in science involve many scales in time and space. An example is turbulent ?ow where the important large scale quantities of lift and drag of a wing depend on the behavior of the small vortices in the boundarylayer. Another example is chemical reactions with concentrations of the species varying over seconds and hours while the time scale of the oscillations of the chemical bonds is of the order of femtoseconds. A third example from structural mechanics is the stress and strain in a solid beam which is well described by macroscopic equations but at the tip of a crack modeling details on a microscale are needed. A common dif?culty with the simulation of these problems and many others in physics, chemistry and biology is that an attempt to represent all scales will lead to an enormous computational problem with unacceptably long computation times and large memory requirements. On the other hand, if the discretization at a coarse level ignoresthe?nescale informationthenthesolutionwillnotbephysicallymeaningful. The in?uence of the ?ne scales must be incorporated into the model. This volume is the result of a Summer School on Multiscale Modeling and S- ulation in Science held at Boso ¤n, Lidingo ¤ outside Stockholm, Sweden, in June 2007. Sixty PhD students from applied mathematics, the sciences and engineering parti- pated in the summer school.
Author: Tom Lyche
Publisher: Springer Nature
ISBN: 303059789X
Category : Mathematics
Languages : en
Pages : 273
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Book Description
To put the world of linear algebra to advanced use, it is not enough to merely understand the theory; there is a significant gap between the theory of linear algebra and its myriad expressions in nearly every computational domain. To bridge this gap, it is essential to process the theory by solving many exercises, thus obtaining a firmer grasp of its diverse applications. Similarly, from a theoretical perspective, diving into the literature on advanced linear algebra often reveals more and more topics that are deferred to exercises instead of being treated in the main text. As exercises grow more complex and numerous, it becomes increasingly important to provide supporting material and guidelines on how to solve them, supporting students’ learning process. This book provides precisely this type of supporting material for the textbook “Numerical Linear Algebra and Matrix Factorizations,” published as Vol. 22 of Springer’s Texts in Computational Science and Engineering series. Instead of omitting details or merely providing rough outlines, this book offers detailed proofs, and connects the solutions to the corresponding results in the textbook. For the algorithmic exercises the utmost level of detail is provided in the form of MATLAB implementations. Both the textbook and solutions are self-contained. This book and the textbook are of similar length, demonstrating that solutions should not be considered a minor aspect when learning at advanced levels.
