Science used to be experiments and theory, now it is experiments, theory and computations. The computational approach to understanding nature and technology is currently flowering in many fields such as physics, geophysics, astrophysics, chemistry, biology, and most engineering disciplines. This book is a gentle introduction to such computational methods where the techniques are explained through examples. It is our goal to teach principles and ideas that carry over from field to field. You will learn basic methods and how to implement them. In order to gain the most from this text, you will need prior knowledge of calculus, basic linear algebra and elementary programming.

A variety of programming models relevant to scientists explained, with an emphasis on how programming constructs map to parts of the computer. What makes computer programs fast or slow? To answer this question, we have to get behind the abstractions of programming languages and look at how a computer really works. This book examines and explains a variety of scientific programming models (programming models relevant to scientists) with an emphasis on how programming constructs map to different parts of the computer's architecture. Two themes emerge: program speed and program modularity. Throughout this book, the premise is to "get under the hood," and the discussion is tied to specific programs. The book digs into linkers, compilers, operating systems, and computer architecture to understand how the different parts of the computer interact with programs. It begins with a review of C/C++ and explanations of how libraries, linkers, and Makefiles work. Programming models covered include Pthreads, OpenMP, MPI, TCP/IP, and CUDA.The emphasis on how computers work leads the reader into computer architecture and occasionally into the operating system kernel. The operating system studied is Linux, the preferred platform for scientific computing. Linux is also open source, which allows users to peer into its inner workings. A brief appendix provides a useful table of machines used to time programs. The book's website (https://github.com/divakarvi/bk-spca) has all the programs described in the book as well as a link to the html text.

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®.

Designed for undergraduates, An Introduction to High-Performance Scientific Computing assumes a basic knowledge of numerical computation and proficiency in Fortran or C programming and can be used in any science, computer science, applied mathematics, or engineering department or by practicing scientists and engineers, especially those associated with one of the national laboratories or supercomputer centers. This text evolved from a new curriculum in scientific computing that was developed to teach undergraduate science and engineering majors how to use high-performance computing systems (supercomputers) in scientific and engineering applications. Designed for undergraduates, An Introduction to High-Performance Scientific Computing assumes a basic knowledge of numerical computation and proficiency in Fortran or C programming and can be used in any science, computer science, applied mathematics, or engineering department or by practicing scientists and engineers, especially those associated with one of the national laboratories or supercomputer centers. The authors begin with a survey of scientific computing and then provide a review of background (numerical analysis, IEEE arithmetic, Unix, Fortran) and tools (elements of MATLAB, IDL, AVS). Next, full coverage is given to scientific visualization and to the architectures (scientific workstations and vector and parallel supercomputers) and performance evaluation needed to solve large-scale problems. The concluding section on applications includes three problems (molecular dynamics, advection, and computerized tomography) that illustrate the challenge of solving problems on a variety of computer architectures as well as the suitability of a particular architecture to solving a particular problem. Finally, since this can only be a hands-on course with extensive programming and experimentation with a variety of architectures and programming paradigms, the authors have provided a laboratory manual and supporting software via anonymous ftp. Scientific and Engineering Computation series

The book provides an introduction to common programming tools and methods in numerical mathematics and scientific computing. Unlike widely used standard approaches, it does not focus on any particular language but aims to explain the key underlying concepts. In general, new concepts are first introduced in the particularly user-friendly Python language and then transferred and expanded in various scientific programming environments from C / C ++, Julia and MATLAB to Maple. This includes different approaches to distributed computing. The fact that different languages are studied and compared also makes the book useful for mathematicians and practitioners trying to decide which programming language to use for which purposes.

Advances in scientific computing have made modelling and simulation an important part of the decision-making process in engineering, science, and public policy. This book provides a comprehensive and systematic development of the basic concepts, principles, and procedures for verification and validation of models and simulations. The emphasis is placed on models that are described by partial differential and integral equations and the simulations that result from their numerical solution. The methods described can be applied to a wide range of technical fields, from the physical sciences, engineering and technology and industry, through to environmental regulations and safety, product and plant safety, financial investing, and governmental regulations. This book will be genuinely welcomed by researchers, practitioners, and decision makers in a broad range of fields, who seek to improve the credibility and reliability of simulation results. It will also be appropriate either for university courses or for independent study.

This book differs from traditional numerical analysis texts in that it focuses on the motivation and ideas behind the algorithms presented rather than on detailed analyses of them. It presents a broad overview of methods and software for solving mathematical problems arising in computational modeling and data analysis, including proper problem formulation, selection of effective solution algorithms, and interpretation of results.? In the 20 years since its original publication, the modern, fundamental perspective of this book has aged well, and it continues to be used in the classroom. This Classics edition has been updated to include pointers to Python software and the Chebfun package, expansions on barycentric formulation for Lagrange polynomial interpretation and stochastic methods, and the availability of about 100 interactive educational modules that dynamically illustrate the concepts and algorithms in the book. Scientific Computing: An Introductory Survey, Second Edition is intended as both a textbook and a reference for computationally oriented disciplines that need to solve mathematical problems.