Computation In Science

The book explains how computing is used in the natural sciences and provides a high-level overview of relevant aspects of computer science and software engineering with a focus on concepts, results and applications. It is intended for both graduate students and experienced scientists.

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.

Computational science is an exciting new field at the intersection of the sciences, computer science, and mathematics because much scientific investigation now involves computing as well as theory and experiment. This textbook provides students with a versatile and accessible introduction to the subject. It assumes only a background in high school algebra, enables instructors to follow tailored pathways through the material, and is the only textbook of its kind designed specifically for an introductory course in the computational science and engineering curriculum. While the text itself is generic, an accompanying website offers tutorials and files in a variety of software packages. This fully updated and expanded edition features two new chapters on agent-based simulations and modeling with matrices, ten new project modules, and an additional module on diffusion. Besides increased treatment of high-performance computing and its applications, the book also includes additional quick review questions with answers, exercises, and individual and team projects. The only introductory textbook of its kind—now fully updated and expanded Features two new chapters on agent-based simulations and modeling with matrices Increased coverage of high-performance computing and its applications Includes additional modules, review questions, exercises, and projects An online instructor's manual with exercise answers, selected project solutions, and a test bank and solutions (available only to professors) An online illustration package is available to professors

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”.

"In the course of only a few decades computers have revolutionized scientific research and more and more scientists are writing computer programs for doing their work. In spite of the ubiquitous use of computers in science, few researchers in the natural sciences have any schooling in computer science, software engineering, or numerical analysis. They usually acquire their computing knowledge 'on the job' and often feel overwhelmed by the amount of computing knowledge they must absorb. Computation in Science provides a background in computation for scientists who use computational methods. The book explains how computing is used in the natural sciences and provides a high-level overview of relevant aspects of computer science and software engineering with a focus on concepts, results, and applications. The goal of this book is to explain these basic principles, and to show how they relate to the tasks of a scientist's daily work in a language familiar to them. Its unique feature is in connecting the dots between computational science, the theory of computation and information, and software engineering. It will compensate for the general lack of any formal training in computer science and information theory allowing readers to better understand how they use computers in their work, and how computers work. Readers will learn to use computers with more confidence, and to see computing technologies in a different light, evaluating them based on how they contribute to doing science. This new edition has been significantly updated and extended to reflect developments in scientific computing, including new examples and references. It also includes a new chapter on reproducibility which reflects the importance that computational reproducibility plays. Accompanied by a website maintained by the author which hosts companion code and supplementary material, it is intended for both graduate students and experienced scientists. Some hands-on experience with computing is highly desirable, but no competence in any specific computing technology is expected." -- Prové de l'editor.

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 methods are an integral part of most scientific disciplines, and a rudimentary understanding of their potential and limitations is essential for any scientist or engineer. This textbook introduces computational science through a set of methods and algorithms, with the aim of familiarizing the reader with the field’s theoretical foundations and providing the practical skills to use and develop computational methods. Centered around a set of fundamental algorithms presented in the form of pseudocode, this self-contained textbook extends the classical syllabus with new material, including high performance computing, adjoint methods, machine learning, randomized algorithms, and quantum computing. It presents theoretical material alongside several examples and exercises and provides Python implementations of many key algorithms. Methods in Computational Science is for advanced undergraduate and graduate-level students studying computer science and data science. It can also be used to support continuous learning for practicing mathematicians, data scientists, computer scientists, and engineers in the field of computational science. It is appropriate for courses in advanced numerical analysis, data science, numerical optimization, and approximation theory.

This interdisciplinary book provides a compendium of projects, plus numerous example programs for readers to study and explore. Designed for advanced undergraduates or graduates of science, mathematics and engineering who will deal with scientific computation in their future studies and research, it also contains new and useful reference materials for researchers. The problem sets range from the tutorial to exploratory and, at times, to "the impossible". The projects were collected from research results and computational dilemmas during the authors tenure as Chief Scientist at NeXT Computer, and from his lectures at Reed College. The content assumes familiarity with such college topics as calculus, differential equations, and at least elementary programming. Each project focuses on computation, theory, graphics, or a combination of these, and is designed with an estimated level of difficulty. The support code for each takes the form of either C or Mathematica, and is included in the appendix and on the bundled diskette. The algorithms are clearly laid out within the projects, such that the book may be used with other symbolic numerical and algebraic manipulation products