This book provides a theoretical background in computation to scientists who use computational methods. It explains how computing is used in the natural sciences, and provides a high-level overview of those aspects of computer science and software engineering that are most relevant for computational science. The focus is on concepts, results, and applications, rather than on proofs and derivations. The unique feature of this book is that it “connects the dots between computational science, the theory of computation and information, and software engineering. The book should help scientists to better understand how they use computers in their work, and to better understand how computers work. It is meant to compensate a bit for the general lack of any formal training in computer science and information theory. Readers will learn something they can use throughout their careers.

An introduction to computational complexity theory, its connections and interactions with mathematics, and its central role in the natural and social sciences, technology, and philosophy Mathematics and Computation provides a broad, conceptual overview of computational complexity theory—the mathematical study of efficient computation. With important practical applications to computer science and industry, computational complexity theory has evolved into a highly interdisciplinary field, with strong links to most mathematical areas and to a growing number of scientific endeavors. Avi Wigderson takes a sweeping survey of complexity theory, emphasizing the field’s insights and challenges. He explains the ideas and motivations leading to key models, notions, and results. In particular, he looks at algorithms and complexity, computations and proofs, randomness and interaction, quantum and arithmetic computation, and cryptography and learning, all as parts of a cohesive whole with numerous cross-influences. Wigderson illustrates the immense breadth of the field, its beauty and richness, and its diverse and growing interactions with other areas of mathematics. He ends with a comprehensive look at the theory of computation, its methodology and aspirations, and the unique and fundamental ways in which it has shaped and will further shape science, technology, and society. For further reading, an extensive bibliography is provided for all topics covered. Mathematics and Computation is useful for undergraduate and graduate students in mathematics, computer science, and related fields, as well as researchers and teachers in these fields. Many parts require little background, and serve as an invitation to newcomers seeking an introduction to the theory of computation. Comprehensive coverage of computational complexity theory, and beyond High-level, intuitive exposition, which brings conceptual clarity to this central and dynamic scientific discipline Historical accounts of the evolution and motivations of central concepts and models A broad view of the theory of computation's influence on science, technology, and society Extensive bibliography

Computational science seeks to gain understanding of science through the use and analysis of mathematical models on high performance computers. The topics covered are gravitational waves, applications of wavelet and fractals, modeling by partial differential equations on flat structure as, production of natural calamities and diseases, etc

Scientific computing is the study of how to use computers effectively to solve problems that arise from the mathematical modeling of phenomena in science and engineering. It is based on mathematics, numerical and symbolic/algebraic computations and visualization. This book serves as an introduction to both the theory and practice of scientific computing, with each chapter presenting the basic algorithms that serve as the workhorses of many scientific codes; we explain both the theory behind these algorithms and how they must be implemented in order to work reliably in finite-precision arithmetic. The book includes many programs written in Matlab and Maple – Maple is often used to derive numerical algorithms, whereas Matlab is used to implement them. The theory is developed in such a way that students can learn by themselves as they work through the text. Each chapter contains numerous examples and problems to help readers understand the material “hands-on”.

A very active field of research is emerging at the frontier of statistical physics, theoretical computer science/discrete mathematics, and coding/information theory. This book sets up a common language and pool of concepts, accessible to students and researchers from each of these fields.

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.

More physicists today are taking on the role of software developer as part of their research, but software development isnâ??t always easy or obvious, even for physicists. This practical book teaches essential software development skills to help you automate and accomplish nearly any aspect of research in a physics-based field. Written by two PhDs in nuclear engineering, this book includes practical examples drawn from a working knowledge of physics concepts. Youâ??ll learn how to use the Python programming language to perform everything from collecting and analyzing data to building software and publishing your results. In four parts, this book includes: Getting Started: Jump into Python, the command line, data containers, functions, flow control and logic, and classes and objects Getting It Done: Learn about regular expressions, analysis and visualization, NumPy, storing data in files and HDF5, important data structures in physics, computing in parallel, and deploying software Getting It Right: Build pipelines and software, learn to use local and remote version control, and debug and test your code Getting It Out There: Document your code, process and publish your findings, and collaborate efficiently; dive into software licenses, ownership, and copyright procedures

A guide to cloud computing for students, scientists, and engineers, with advice and many hands-on examples. The emergence of powerful, always-on cloud utilities has transformed how consumers interact with information technology, enabling video streaming, intelligent personal assistants, and the sharing of content. Businesses, too, have benefited from the cloud, outsourcing much of their information technology to cloud services. Science, however, has not fully exploited the advantages of the cloud. Could scientific discovery be accelerated if mundane chores were automated and outsourced to the cloud? Leading computer scientists Ian Foster and Dennis Gannon argue that it can, and in this book offer a guide to cloud computing for students, scientists, and engineers, with advice and many hands-on examples. The book surveys the technology that underpins the cloud, new approaches to technical problems enabled by the cloud, and the concepts required to integrate cloud services into scientific work. It covers managing data in the cloud, and how to program these services; computing in the cloud, from deploying single virtual machines or containers to supporting basic interactive science experiments to gathering clusters of machines to do data analytics; using the cloud as a platform for automating analysis procedures, machine learning, and analyzing streaming data; building your own cloud with open source software; and cloud security. The book is accompanied by a website, Cloud4SciEng.org, that provides a variety of supplementary material, including exercises, lecture slides, and other resources helpful to readers and instructors.

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.