"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? Scrutinizing these issues with a philosophical lens, Eric 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"--Cover.

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 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.

The essential introduction to computational science—now fully updated and expanded 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

Clinical Simulation: Education, Operations and Engineering, Second Edition, offers readers a restructured, comprehensive and updated approach to learn about simulation practices and techniques in a clinical setting. Featuring new and revised chapters from the industry's top researchers and educators, this release gives readers the most updated data through modern pedagogy. This new edition has been restructured to highlight five major components of simulation education, including simulation scenarios as tools, student learning, faculty teaching, necessary subject matter, and the learning environment. With clear and efficient organization throughout the book, users will find this to be an ideal text for students and professionals alike. - Edited by a leading educator, consultant and practitioner in the clinical simulation field - Redesigned structure emphasizes the five components of simulation pedagogy - Contains over 30 new chapters that feature the most up-to-date industry information and practices

Convergence has been a key topic of discussion about the future of cyberinfrastructure for science and engineering research. Convergence refers both to the combined use of simulation and data-centric techniques in science and engineering research and the possibilities for a single type of cyberinfrastructure to support both techniques. The National Academies of Science, Engineering, and Medicine convened a Workshop on Converging Simulation and Data-Driven Science on May 10, 2018, in Washington, D.C. The workshop featured speakers from universities, national laboratories, technology companies, and federal agencies who addressed the potential benefits and limitations of convergence as they relate to scientific needs, technological capabilities, funding structures, and system design requirements. This publication summarizes the presentations and discussions from the workshop.

Numerical simulation is a powerful tool used in various fields of science and engineering to model complex systems and predict their behavior. It involves developing mathematical models that describe the behavior of a system and using computer algorithms to solve these models numerically. By doing so, researchers and engineers can study the behavior of a system in detail, which may only be possible with analytical methods. Numerical simulation has many advantages over traditional analytical methods. It allows researchers and engineers to study complex systems’ behavior in detail and predict their behavior in different scenarios. It also allows for the optimization of systems and the identification of design flaws before they are built. However, numerical simulation has its limitations. It requires significant computational resources, and the accuracy of the results depends on the quality of the mathematical models and the discretization methods used. Nevertheless, numerical simulation remains a valuable tool in many fields and its importance is likely to grow as computational resources become more powerful and widely available. Numerical simulation is widely used in physics, engineering, computer science, and mathematics. In physics, for example, numerical simulation is used to study the behavior of complex systems such as weather patterns, fluid dynamics, and particle interactions. In engineering, it is used to design and optimize systems such as aircraft, cars, and buildings. In computer science, numerical simulation models and optimization algorithms and data structures. In mathematics, it is used to study complex mathematical models and to solve complex equations. This book familiarizes readers with the practical application of the numerical simulation technique to solve complex analytical problems in different industries and sciences.