Introduction to Computational Science

Author: Angela B. Shiflet
Publisher: Princeton University Press
ISBN: 9781400850556
Release Date: 2014-03-30
Genre: Computers

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

Introduction to Computational Science

Author: Angela B. Shiflet
Publisher: Princeton University Press
ISBN: 9780691125657
Release Date: 2006
Genre: Computers

Computational science is a quickly emerging field at the intersection of the sciences, computer science, and mathematics because much scientific investigation now involves computing as well as theory and experiment. However, limited educational materials exist in this field. Introduction to Computational Science fills this void with a flexible, readable textbook that assumes only a background in high school algebra and enables instructors to follow tailored pathways through the material. It is the first textbook designed specifically for an introductory course in the computational science and engineering curriculum. The text embraces two major approaches to computational science problems: System dynamics models with their global views of major systems that change with time; and cellular automaton simulations with their local views of how individuals affect individuals. While the text is generic, an extensive author-generated Web-site contains tutorials and files in a variety of software packages to accompany the text. Generic software approach in the text Web site with tutorials and files in a variety of software packages Engaging examples, exercises, and projects that explore science Additional, substantial projects for students to develop individually or in teams Consistent application of the modeling process Quick review questions and answers Projects for students to develop individually or in teams Reference sections for most modules, as well as a glossary Online instructor's manual with a test bank and solutions

Molecular Modeling and Simulation

Author: Tamar Schlick
Publisher: Springer Science & Business Media
ISBN: 9780387224640
Release Date: 2013-04-18
Genre: Science

Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Introduction to Computational Social Science

Author: Claudio Cioffi-Revilla
Publisher: Springer
ISBN: 9783319501314
Release Date: 2017-06-22
Genre: Computers

This textbook provides a comprehensive and reader-friendly introduction to the field of computational social science (CSS). Presenting a unified treatment, the text examines in detail the four key methodological approaches of automated social information extraction, social network analysis, social complexity theory, and social simulation modeling. This updated new edition has been enhanced with numerous review questions and exercises to test what has been learned, deepen understanding through problem-solving, and to practice writing code to implement ideas. Topics and features: contains more than a thousand questions and exercises, together with a list of acronyms and a glossary; examines the similarities and differences between computers and social systems; presents a focus on automated information extraction; discusses the measurement, scientific laws, and generative theories of social complexity in CSS; reviews the methodology of social simulations, covering both variable- and object-oriented models.

Computer Simulation and Modelling

Author: Francis Neelamkavil
Publisher: John Wiley & Sons Incorporated
ISBN: UOM:39015011742536
Release Date: 1987-01-15
Genre: Computers

This one-volume text covers all important aspects of computer modelling and simulation. Based on the idea of ``learning by doing,'' this text teaches the actual construction and use of both analogue and digital simulation models in continuous and discrete systems, while emphasizing the digital computer simulation of discrete systems. Covers the use of microprocessors and computer graphics for modelling and simulation and the availability of micro-based software. Stresses practical problem-solving with numerous diagrams and numerical examples. Also provided are sample program listings (Pascal, CSMP, GPSS, SIMSCRIPT) and output from actual computer runs.

Understanding Molecular Simulation

Author: Daan Frenkel
Publisher: Elsevier
ISBN: 0080519989
Release Date: 2001-10-19
Genre: Science

Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: · Transition path sampling and diffusive barrier crossing to simulaterare events · Dissipative particle dynamic as a course-grained simulation technique · Novel schemes to compute the long-ranged forces · Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations · Multiple-time step algorithms as an alternative for constraints · Defects in solids · The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules · Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Introduction to Computational Materials Science

Author: Richard LeSar
Publisher: Cambridge University Press
ISBN: 9781107328143
Release Date: 2013-03-28
Genre: Technology & Engineering

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Simulation Modeling and Arena

Author: Manuel D. Rossetti
Publisher: John Wiley & Sons
ISBN: 9781118858141
Release Date: 2015-05-26
Genre: Mathematics

Emphasizes a hands-on approach to learning statistical analysis and model building through the use of comprehensive examples, problems sets, and software applications With a unique blend of theory and applications, Simulation Modeling and Arena®, Second Edition integrates coverage of statistical analysis and model building to emphasize the importance of both topics in simulation. Featuring introductory coverage on how simulation works and why it matters, the Second Edition expands coverage on static simulation and the applications of spreadsheets to perform simulation. The new edition also introduces the use of the open source statistical package, R, for both performing statistical testing and fitting distributions. In addition, the models are presented in a clear and precise pseudo-code form, which aids in understanding and model communication. Simulation Modeling and Arena, Second Edition also features: Updated coverage of necessary statistical modeling concepts such as confidence interval construction, hypothesis testing, and parameter estimation Additional examples of the simulation clock within discrete event simulation modeling involving the mechanics of time advancement by hand simulation A guide to the Arena Run Controller, which features a debugging scenario New homework problems that cover a wider range of engineering applications in transportation, logistics, healthcare, and computer science A related website with an Instructor’s Solutions Manual, PowerPoint® slides, test bank questions, and data sets for each chapter Simulation Modeling and Arena, Second Edition is an ideal textbook for upper-undergraduate and graduate courses in modeling and simulation within statistics, mathematics, industrial and civil engineering, construction management, business, computer science, and other departments where simulation is practiced. The book is also an excellent reference for professionals interested in mathematical modeling, simulation, and Arena.

Introduction to Computational Chemistry

Author: Frank Jensen
Publisher: John Wiley & Sons
ISBN: 9781118825952
Release Date: 2016-12-14
Genre: Science

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force fields * Tight-binding DFT * More extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition methods * Cluster analysis * Reduced scaling and reduced prefactor methods Additional information is available at:

Simulation For The Social Scientist

Author: Gilbert, Nigel
Publisher: McGraw-Hill Education (UK)
ISBN: 0335216005
Release Date: 2005-02-01
Genre: Social Science

Social sciences -- Simulation methods. Social interaction -- Computer simulation. Social sciences -- Mathematical models. (publisher)

Introduction to Computation and Programming Using Python

Author: John V. Guttag
Publisher: MIT Press
ISBN: 9780262529624
Release Date: 2016-08-12
Genre: Computers

The new edition of an introductory text that teaches students the art of computational problem solving, covering topics ranging from simple algorithms to information visualization.

A Primer on Scientific Programming with Python

Author: Hans Petter Langtangen
Publisher: Springer
ISBN: 9783662498873
Release Date: 2016-07-28
Genre: Computers

The book serves as a first introduction to computer programming of scientific applications, using the high-level Python language. The exposition is example and problem-oriented, where the applications are taken from mathematics, numerical calculus, statistics, physics, biology and finance. The book teaches "Matlab-style" and procedural programming as well as object-oriented programming. High school mathematics is a required background and it is advantageous to study classical and numerical one-variable calculus in parallel with reading this book. Besides learning how to program computers, the reader will also learn how to solve mathematical problems, arising in various branches of science and engineering, with the aid of numerical methods and programming. By blending programming, mathematics and scientific applications, the book lays a solid foundation for practicing computational science. From the reviews: Langtangen ... does an excellent job of introducing programming as a set of skills in problem solving. He guides the reader into thinking properly about producing program logic and data structures for modeling real-world problems using objects and functions and embracing the object-oriented paradigm. ... Summing Up: Highly recommended. F. H. Wild III, Choice, Vol. 47 (8), April 2010 Those of us who have learned scientific programming in Python ‘on the streets’ could be a little jealous of students who have the opportunity to take a course out of Langtangen’s Primer.” John D. Cook, The Mathematical Association of America, September 2011 This book goes through Python in particular, and programming in general, via tasks that scientists will likely perform. It contains valuable information for students new to scientific computing and would be the perfect bridge between an introduction to programming and an advanced course on numerical methods or computational science. Alex Small, IEEE, CiSE Vol. 14 (2), March /April 2012 “This fourth edition is a wonderful, inclusive textbook that covers pretty much everything one needs to know to go from zero to fairly sophisticated scientific programming in Python...” Joan Horvath, Computing Reviews, March 2015

Mathematics Applied to Deterministic Problems in the Natural Sciences

Author: C. C. Lin
Publisher: SIAM
ISBN: 1611971349
Release Date: 1988
Genre: Mathematics

Addresses the construction, analysis, and intepretation of mathematical models that shed light on significant problems in the physical sciences. The authors' case studies approach leads to excitement in teaching realistic problems. The many problems and exercises reinforce, test and extend the reader's understanding. This reprint volume may be used as an upper level undergraduate or graduate textbook as well as a reference for researchers working on fluid mechanics, elasticity, perturbation methods, dimensional analysis, numerical analysis, continuum mechanics and differential equations.

Principles of Computational Modelling in Neuroscience

Author: David Sterratt
Publisher: Cambridge University Press
ISBN: 9781139500791
Release Date: 2011-06-30
Genre: Medical

The nervous system is made up of a large number of interacting elements. To understand how such a complex system functions requires the construction and analysis of computational models at many different levels. This book provides a step-by-step account of how to model the neuron and neural circuitry to understand the nervous system at all levels, from ion channels to networks. Starting with a simple model of the neuron as an electrical circuit, gradually more details are added to include the effects of neuronal morphology, synapses, ion channels and intracellular signalling. The principle of abstraction is explained through chapters on simplifying models, and how simplified models can be used in networks. This theme is continued in a final chapter on modelling the development of the nervous system. Requiring an elementary background in neuroscience and some high school mathematics, this textbook is an ideal basis for a course on computational neuroscience.