Understanding Computer Simulation

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.

The first computer simulation book for anyone designing or building a game Answering the growing demand for a book catered for those who design, develop, or use simulations and games this book teaches you exactly what you need to know in order to understand the simulations you build or use all without having to earn another degree. Organized into three parts, this informative book first defines computer simulations and describes how they are different from live-action and paper-based simulations. The second section builds upon the previous, with coverage of the technical details of simulations, a detailed description of how models are built, and an explanation of how those models are translated into simulations. Finally, the last section develops four examples that walk you through the process from model to finished and functional simulation, all of which are created using freely available software and all of which can be downloaded. Targets anyone interested in learning about the inner workings of a simulation or game, but may not necessarily be a programmer or scientist Offers technical details on what simulations are and how they are built without overwhelming you with intricate jargon Breaks down simulation vs. modeling and traditional vs. computer simulations Examines verification and validation and discusses simulation tools Whether you need to learn how simulations work or it's something you've always been curious about but couldn't find the right resource, look no further. The Guide to Computer Simulations and Games is the ideal book for getting a solid understanding of this fascinating subject.

The new book series “The Science and Art of Simulation” (SAS) addresses computer simulations as a scientific activity and engineering artistry (in the sense of a technē). The first volume is devoted to three topics: 1. The Art of Exploring Computer Simulations Philosophy began devoting attention to computer simulations at a relatively early stage. Since then, the unquestioned point of view has been that computer simulation is a new scientific method; the philosophy of simulation is therefore part of the philosophy of science. The first section of this volume discusses this implicit, unchallenged assumption by addressing, from different perspectives, the question of how to explore (and how not to explore) research on computer simulations. Scientists discuss what is still lacking or considered problematic, while philosophers draft new directions for research, and both examine the art of exploring computer simulations. 2. The Art of Understanding Computer Simulations The results of computer simulations are integrated into both political and social decisions. It is implicitly assumed that the more detailed, and consequently more realistic, a computer simulation is, the more useful it will be in decision-making. However, this idea is by no means justified. Different types of computer simulations have to be differentiated, which in turn requires the specific skill of understanding computer simulation results. The articles in this section examine the capabilities and limits of simulation results in political and social contexts, exploring the art of understanding computer simulation results. 3. The Art of Knowing through Computer Simulations? The advent of computer simulation in today’s scientific practices challenges the order of science. What kind of knowledge is gained through computer simulations is the key question in this section. Computer simulations are often compared to experiments or to arguments, and the transformation of our traditional scientific notions might be more challenging than expected – these Ideas are put forward in the third section to conceptualize the art of knowing through computer simulations.

What is it about the structure and organisation of science and technology that has led to the spectacularly successful growth of knowledge during this century? This book explores this important and much debated question in an innovative way, by using computer simulations. The computer simulation of societies and social processes is a methodology which is rapidly becoming recognised for its potential in the social sciences. This book applies the tools of simulation systematically to a specific domain: science and technology studies. The book shows how computer simulation can be applied both to questions in the history and philosophy of science and to issues of concern to sociologists of science and technology. Chapters in the book demonstrate the use of simulation for clarifying the notion of creativity and for understanding the logical processes employed by eminent scientists to make their discoveries. The book begins with three introductory chapters. The first introduces simulation for the social sciences, surveying current work and explaining the advantages and pitfalls of this new methodology. The second and third chapters review recent work on theoretical aspects of social simulation, introducing fundamental concepts such as self organisation and complexity and relating these to the simulation of scientific discovery.

Computer simulation was first pioneered as a scientific tool in meteorology and nuclear physics in the period following World War II, but it has grown rapidly to become indispensible in a wide variety of scientific disciplines, including astrophysics, high-energy physics, climate science, engineering, ecology, and economics. Digital computer simulation helps study phenomena of great complexity, but how much do we know about the limits and possibilities of this new scientific practice? How do simulations compare to traditional experiments? And are they reliable? Eric Winsberg seeks to answer these questions in Science in the Age of Computer Simulation. Scrutinizing these issue with a philosophical lens, Winsberg explores the impact of simulation on such issues as the nature of scientific evidence; the role of values in science; the nature and role of fictions in science; and the relationship between simulation and experiment, theories and data, and theories at different levels of description. Science in the Age of Computer Simulation will transform many of the core issues in philosophy of science, as well as our basic understanding of the role of the digital computer in the sciences.

This unique volume introduces and discusses the methods of validating computer simulations in scientific research. The core concepts, strategies, and techniques of validation are explained by an international team of pre-eminent authorities, drawing on expertise from various fields ranging from engineering and the physical sciences to the social sciences and history. The work also offers new and original philosophical perspectives on the validation of simulations. Topics and features: introduces the fundamental concepts and principles related to the validation of computer simulations, and examines philosophical frameworks for thinking about validation; provides an overview of the various strategies and techniques available for validating simulations, as well as the preparatory steps that have to be taken prior to validation; describes commonly used reference points and mathematical frameworks applicable to simulation validation; reviews the legal prescriptions, and the administrative and procedural activities related to simulation validation; presents examples of best practice that demonstrate how methods of validation are applied in various disciplines and with different types of simulation models; covers important practical challenges faced by simulation scientists when applying validation methods and techniques; offers a selection of general philosophical reflections that explore the significance of validation from a broader perspective. This truly interdisciplinary handbook will appeal to a broad audience, from professional scientists spanning all natural and social sciences, to young scholars new to research with computer simulations. Philosophers of science, and methodologists seeking to increase their understanding of simulation validation, will also find much to benefit from in the text.

Models and simulations are an important first step in developing computer applications to solve real-world problems. However, in order to be truly effective, computer programmers must use formal modeling languages to evaluate these simulations. Formal Languages for Computer Simulation: Transdisciplinary Models and Applications investigates a variety of programming languages used in validating and verifying models in order to assist in their eventual implementation. This book will explore different methods of evaluating and formalizing simulation models, enabling computer and industrial engineers, mathematicians, and students working with computer simulations to thoroughly understand the progression from simulation to product, improving the overall effectiveness of modeling systems.