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 Scientific Computing with MATLAB and Octave written by Alfio Quarteroni and published by Springer Science & Business Media. This book was released on 2010-05-30 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Preface to the First Edition This textbook is an introduction to Scienti?c Computing. We will illustrate several numerical methods for the computer solution of c- tain classes of mathematical problems that cannot be faced by paper and pencil. We will show how to compute the zeros or the integrals of continuous functions, solve linear systems, approximate functions by polynomials and construct accurate approximations for the solution of di?erential equations. With this aim, in Chapter 1 we will illustrate the rules of the game thatcomputersadoptwhenstoringandoperatingwith realandcomplex numbers, vectors and matrices. In order to make our presentation concrete and appealing we will 1 adopt the programming environment MATLAB as a faithful c- panion. We will gradually discover its principal commands, statements and constructs. We will show how to execute all the algorithms that we introduce throughout the book. This will enable us to furnish an - mediate quantitative assessment of their theoretical properties such as stability, accuracy and complexity. We will solve several problems that will be raisedthrough exercises and examples, often stemming from s- ci?c applications.
Download or read book Meshfree Methods for Partial Differential Equations IV written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2008-10-16 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: The numerical treatment of partial differential equations with particle methods and meshfree discretization techniques is a active research field both in the mathematics and engineering community. This volume of LNCSE is a collection of the proceedings papers of the Fourth International Workshop on Meshfree Methods held in September 2007 in Bonn.
Download or read book Meshfree Methods for Partial Differential Equations V written by Michael Griebel and published by Springer Science & Business Media. This book was released on 2010-11-04 with total page 271 pages. Available in PDF, EPUB and Kindle. Book excerpt: The numerical treatment of partial differential equations with particle methods and meshfree discretization techniques is an extremely active research field, both in the mathematics and engineering communities. Meshfree methods are becoming increasingly mainstream in various applications. Due to their independence of a mesh, particle schemes and meshfree methods can deal with large geometric changes of the domain more easily than classical discretization techniques. Furthermore, meshfree methods offer a promising approach for the coupling of particle models to continuous models. This volume of LNCSE is a collection of the papers from the proceedings of the Fifth International Workshop on Meshfree Methods, held in Bonn in August 2009. The articles address the different meshfree methods and their use in applied mathematics, physics and engineering. The volume is intended to foster this highly active and exciting area of interdisciplinary research and to present recent advances and findings in this field.
Download or read book Numerical Analysis of Multiscale Computations written by Björn Engquist and published by Springer Science & Business Media. This book was released on 2011-10-14 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a snapshot of current research in multiscale modeling, computations and applications. It covers fundamental mathematical theory, numerical algorithms as well as practical computational advice for analysing single and multiphysics models containing a variety of scales in time and space. Complex fluids, porous media flow and oscillatory dynamical systems are treated in some extra depth, as well as tools like analytical and numerical homogenization, and fast multipole method.
Download or read book Frontiers in Numerical Analysis Durham 2010 written by James Blowey and published by Springer Science & Business Media. This book was released on 2012-01-10 with total page 298 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains detailed lecture notes on four topics at the forefront of current research in computational mathematics. Each set of notes presents a self-contained guide to a current research area and has an extensive bibliography. In addition, most of the notes contain detailed proofs of the key results. The notes start from a level suitable for first year graduate students in applied mathematics, mathematical analysis or numerical analysis, and proceed to current research topics. The reader should therefore be able to gain quickly an insight into the important results and techniques in each area without recourse to the large research literature. Current (unsolved) problems are also described and directions for future research are given. This book is also suitable for professional mathematicians who require a succint and accurate account of recent research in areas parallel to their own, and graduates in mathematical sciences.
Download or read book Multiscale Models in Mechano and Tumor Biology written by Alf Gerisch and published by Springer. This book was released on 2018-03-16 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents and discusses the state of the art and future perspectives in mathematical modeling and homogenization techniques with the focus on addressing key physiological issues in the context of multiphase healthy and malignant biological materials. The highly interdisciplinary content brings together contributions from scientists with complementary areas of expertise, such as pure and applied mathematicians, engineers, and biophysicists. The book also features the lecture notes from a half-day introductory course on asymptotic homogenization. These notes are suitable for undergraduate mathematics or physics students, while the other chapters are aimed at graduate students and researchers.
Download or read book Exercises in Numerical Linear Algebra and Matrix Factorizations written by Tom Lyche and published by Springer Nature. This book was released on 2020-11-02 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Numerical Linear Algebra and Matrix Factorizations written by Tom Lyche and published by Springer Nature. This book was released on 2020-03-02 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book BAIL 2008 Boundary and Interior Layers written by Alan Hegarty and published by Springer Science & Business Media. This book was released on 2009-06-10 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Programming for Computations Python written by Svein Linge and published by Springer Nature. This book was released on 2019-10-30 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Advanced Topics in Computational Partial Differential Equations written by Hans Petter Langtangen and published by Springer Science & Business Media. This book was released on 2003-10-29 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: A gentle introduction to advanced topics such as parallel computing, multigrid methods, and special methods for systems of PDEs. The goal of all chapters is to ‘compute’ solutions to problems, hence algorithmic and software issues play a central role. All software examples use the Diffpack programming environment - some experience with Diffpack is required. There are also some chapters covering complete applications, i.e., the way from a model, expressed as systems of PDEs, through to discretization methods, algorithms, software design, verification, and computational examples. Suitable for readers with a background in basic finite element and finite difference methods for partial differential equations.
Download or read book BEM based Finite Element Approaches on Polytopal Meshes written by Steffen Weißer and published by Springer. This book was released on 2019-07-18 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Quantification of Uncertainty Improving Efficiency and Technology written by Marta D'Elia and published by Springer Nature. This book was released on 2020-07-30 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores four guiding themes – reduced order modelling, high dimensional problems, efficient algorithms, and applications – by reviewing recent algorithmic and mathematical advances and the development of new research directions for uncertainty quantification in the context of partial differential equations with random inputs. Highlighting the most promising approaches for (near-) future improvements in the way uncertainty quantification problems in the partial differential equation setting are solved, and gathering contributions by leading international experts, the book’s content will impact the scientific, engineering, financial, economic, environmental, social, and commercial sectors.
Download or read book Scientific Computing written by John A. Trangenstein and published by Springer. This book was released on 2018-05-14 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Scientific Computing written by Bertil Gustafsson and published by Springer. This book was released on 2018-10-03 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Software for Exascale Computing SPPEXA 2016 2019 written by Hans-Joachim Bungartz and published by Springer Nature. This book was released on 2020-07-30 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
