Computational Methods For Macromolecules Challenges And Applications
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Computational Methods For Macromolecules Challenges And Applications
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computational Methods For Macromolecules Challenges And Applications written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
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.
Introduction To Numerical Methods For Variational Problems
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Author : Hans Petter Langtangen
language : en
Publisher: Springer Nature
Release Date : 2019-09-26
Introduction To Numerical Methods For Variational Problems written by Hans Petter Langtangen and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-26 with Mathematics categories.
This textbook teaches finite element methods from a computational point of view. It focuses on how to develop flexible computer programs with Python, a programming language in which a combination of symbolic and numerical tools is used to achieve an explicit and practical derivation of finite element algorithms. The finite element library FEniCS is used throughout the book, but the content is provided in sufficient detail to ensure that students with less mathematical background or mixed programming-language experience will equally benefit. All program examples are available on the Internet.
Numerical Linear Algebra And Matrix Factorizations
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Author : Tom Lyche
language : en
Publisher: Springer Nature
Release Date : 2020-03-02
Numerical Linear Algebra And Matrix Factorizations written by Tom Lyche and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-03-02 with Mathematics categories.
After reading this book, students should be able to analyze computational problems in linear algebra such as linear systems, least squares- and eigenvalue problems, and to develop their own algorithms for solving them. Since these problems can be large and difficult to handle, much can be gained by understanding and taking advantage of special structures. This in turn requires a good grasp of basic numerical linear algebra and matrix factorizations. Factoring a matrix into a product of simpler matrices is a crucial tool in numerical linear algebra, because it allows us to tackle complex problems by solving a sequence of easier ones. The main characteristics of this book are as follows: It is self-contained, only assuming that readers have completed first-year calculus and an introductory course on linear algebra, and that they have some experience with solving mathematical problems on a computer. The book provides detailed proofs of virtually all results. Further, its respective parts can be used independently, making it suitable for self-study. The book consists of 15 chapters, divided into five thematically oriented parts. The chapters are designed for a one-week-per-chapter, one-semester course. To facilitate self-study, an introductory chapter includes a brief review of linear algebra.
Exercises In Numerical Linear Algebra And Matrix Factorizations
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Author : Tom Lyche
language : en
Publisher: Springer Nature
Release Date : 2020-11-02
Exercises In Numerical Linear Algebra And Matrix Factorizations written by Tom Lyche and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-02 with Mathematics categories.
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.
Bail 2008 Boundary And Interior Layers
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Author : Alan Hegarty
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-06-10
Bail 2008 Boundary And Interior Layers written by Alan Hegarty and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-06-10 with Mathematics categories.
These Proceedings contain a selection of the lectures given at the conference BAIL 2008: Boundary and Interior Layers – Computational and Asymptotic Methods, which was held from 28th July to 1st August 2008 at the University of Limerick, Ireland. The ?rst three BAIL conferences (1980, 1982, 1984) were organised by Professor John Miller in Trinity College Dublin, Ireland. The next seven were held in Novosibirsk (1986), Shanghai (1988), Colorado (1992), Beijing (1994), Perth (2002),Toulouse(2004),and Got ̈ tingen(2006).With BAIL 2008the series returned to Ireland. BAIL 2010 is planned for Zaragoza. The BAIL conferences strive to bring together mathematicians and engineers whose research involves layer phenomena,as these two groups often pursue largely independent paths. BAIL 2008, at which both communities were well represented, succeeded in this regard. The lectures given were evenly divided between app- cations and theory, exposing all conference participants to a broad spectrum of research into problems exhibiting solutions with layers. The Proceedings give a good overview of current research into the theory, app- cation and solution (by both numerical and asymptotic methods) of problems that involve boundaryand interior layers. In addition to invited and contributed lectures, the conference included four mini-symposia devoted to stabilized ?nite element methods, asymptotic scaling of wall-bounded ?ows, systems of singularly p- turbed differential equations, and problems with industrial applications (supported by MACSI, the Mathematics Applications Consortium for Science and Industry). These titles exemplify the mix of interests among the participants.
Fundamentals Of Scientific Computing
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Author : Bertil Gustafsson
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-06-11
Fundamentals Of Scientific Computing written by Bertil Gustafsson and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-06-11 with Mathematics categories.
The book of nature is written in the language of mathematics -- Galileo Galilei How is it possible to predict weather patterns for tomorrow, with access solely to today’s weather data? And how is it possible to predict the aerodynamic behavior of an aircraft that has yet to be built? The answer is computer simulations based on mathematical models – sets of equations – that describe the underlying physical properties. However, these equations are usually much too complicated to solve, either by the smartest mathematician or the largest supercomputer. This problem is overcome by constructing an approximation: a numerical model with a simpler structure can be translated into a program that tells the computer how to carry out the simulation. This book conveys the fundamentals of mathematical models, numerical methods and algorithms. Opening with a tutorial on mathematical models and analysis, it proceeds to introduce the most important classes of numerical methods, with finite element, finite difference and spectral methods as central tools. The concluding section describes applications in physics and engineering, including wave propagation, heat conduction and fluid dynamics. Also covered are the principles of computers and programming, including MATLAB®.
Programming For Computations Python
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Author : Svein Linge
language : en
Publisher: Springer Nature
Release Date : 2019-10-30
Programming For Computations Python written by Svein Linge and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-30 with Computers categories.
This book is published open access under a CC BY 4.0 license. This book presents computer programming as a key method for solving mathematical problems. This second edition of the well-received book has been extensively revised: All code is now written in Python version 3.6 (no longer version 2.7). In addition, the two first chapters of the previous edition have been extended and split up into five new chapters, thus expanding the introduction to programming from 50 to 150 pages. Throughout the book, the explanations provided are now more detailed, previous examples have been modified, and new sections, examples and exercises have been added. Also, a number of small errors have been corrected. The book was inspired by the Springer book TCSE 6: A Primer on Scientific Programming with Python (by Langtangen), but the style employed is more accessible and concise, in keeping with the needs of engineering students. The book outlines the shortest possible path from no previous experience with programming to a set of skills that allows students to write simple programs for solving common mathematical problems with numerical methods in the context of engineering and science courses. The emphasis is on generic algorithms, clean program design, the use of functions, and automatic tests for verification.
Bem Based Finite Element Approaches On Polytopal Meshes
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Author : Steffen Weißer
language : en
Publisher: Springer
Release Date : 2019-07-18
Bem Based Finite Element Approaches On Polytopal Meshes written by Steffen Weißer and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-07-18 with Mathematics categories.
This book introduces readers to one of the first methods developed for the numerical treatment of boundary value problems on polygonal and polyhedral meshes, which it subsequently analyzes and applies in various scenarios. The BEM-based finite element approaches employs implicitly defined trial functions, which are treated locally by means of boundary integral equations. A detailed construction of high-order approximation spaces is discussed and applied to uniform, adaptive and anisotropic polytopal meshes. The main benefits of these general discretizations are the flexible handling they offer for meshes, and their natural incorporation of hanging nodes. This can especially be seen in adaptive finite element strategies and when anisotropic meshes are used. Moreover, this approach allows for problem-adapted approximation spaces as presented for convection-dominated diffusion equations. All theoretical results and considerations discussed in the book are verified and illustrated by several numerical examples and experiments. Given its scope, the book will be of interest to mathematicians in the field of boundary value problems, engineers with a (mathematical) background in finite element methods, and advanced graduate students.
Software For Exascale Computing Sppexa 2013 2015
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Author : Hans-Joachim Bungartz
language : en
Publisher: Springer
Release Date : 2016-09-14
Software For Exascale Computing Sppexa 2013 2015 written by Hans-Joachim Bungartz and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-09-14 with Computers categories.
The research and its outcomes presented in this collection focus on various aspects of high-performance computing (HPC) software and its development which is confronted with various challenges as today's supercomputer technology heads towards exascale computing. 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 collection thereby highlights pioneering research findings as well as innovative concepts in exascale software development that have been conducted under the umbrella of the priority programme "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) and that have been presented at the SPPEXA Symposium, Jan 25-27 2016, in Munich. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.
Optimization With Pde Constraints
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Author : Ronald Hoppe
language : en
Publisher: Springer
Release Date : 2014-09-11
Optimization With Pde Constraints written by Ronald Hoppe and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-11 with Computers categories.
This book on PDE Constrained Optimization contains contributions on the mathematical analysis and numerical solution of constrained optimal control and optimization problems where a partial differential equation (PDE) or a system of PDEs appears as an essential part of the constraints. The appropriate treatment of such problems requires a fundamental understanding of the subtle interplay between optimization in function spaces and numerical discretization techniques and relies on advanced methodologies from the theory of PDEs and numerical analysis as well as scientific computing. The contributions reflect the work of the European Science Foundation Networking Programme ’Optimization with PDEs’ (OPTPDE).