Understanding Molecular Simulation


Book Description

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.




Elements of Simulation


Book Description

This book provides a guide to the elements of simulation in statistics, which will include developments and which may be used either as a teaching text or as a source of reference. It is widely used for teaching statistics in schools.




Simulations


Book Description

Simulations never existed as a book before it was "translated" into English. Actually it came from two different bookCovers written at different times by Jean Baudrillard. The first part of Simulations, and most provocative because it made a fiction of theory, was "The Procession of Simulacra." It had first been published in Simulacre et Simulations (1981). The second part, written much earlier and in a more academic mode, came from L'Echange Symbolique et la Mort (1977). It was a half-earnest, half-parodical attempt to "historicize" his own conceit by providing it with some kind of genealogy of the three orders of appearance: the Counterfeit attached to the classical period; Production for the industrial era; and Simulation, controlled by the code. It was Baudrillard's version of Foucault's Order of Things and his ironical commentary of the history of truth. The book opens on a quote from Ecclesiastes asserting flatly that "the simulacrum is true." It was certainly true in Baudrillard's book, but otherwise apocryphal.One of the most influential essays of the 20th century, Simulations was put together in 1983 in order to be published as the first little black book of Semiotext(e)'s new Foreign Agents Series. Baudrillard's bewildering thesis, a bold extrapolation on Ferdinand de Saussure's general theory of general linguistics, was in fact a clinical vision of contemporary consumer societies where signs don't refer anymore to anything except themselves. They all are generated by the matrix.In effect Baudrillard's essay (it quickly became a must to read both in the art world and in academe) was upholding the only reality there was in a world that keeps hiding the fact that it has none. Simulacrum is its own pure simulacrum and the simulacrum is true. In his celebrated analysis of Disneyland, Baudrillard demonstrates that its childish imaginary is neither true nor false, it is there to make us believe that the rest of America is real, when in fact America is a Disneyland. It is of the order of the hyper-real and of simulation. Few people at the time realized that Baudrillard's simulacrum itself wasn't a thing, but a "deterrence machine," just like Disneyland, meant to reveal the fact that the real is no longer real and illusion no longer possible. But the more impossible the illusion of reality becomes, the more impossible it is to separate true from false and the real from its artificial resurrection, the more panic-stricken the production of the real is.




The Art of Molecular Dynamics Simulation


Book Description

First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.




Discrete Choice Methods with Simulation


Book Description

This book describes the new generation of discrete choice methods, focusing on the many advances that are made possible by simulation. Researchers use these statistical methods to examine the choices that consumers, households, firms, and other agents make. Each of the major models is covered: logit, generalized extreme value, or GEV (including nested and cross-nested logits), probit, and mixed logit, plus a variety of specifications that build on these basics. Simulation-assisted estimation procedures are investigated and compared, including maximum stimulated likelihood, method of simulated moments, and method of simulated scores. Procedures for drawing from densities are described, including variance reduction techniques such as anithetics and Halton draws. Recent advances in Bayesian procedures are explored, including the use of the Metropolis-Hastings algorithm and its variant Gibbs sampling. The second edition adds chapters on endogeneity and expectation-maximization (EM) algorithms. No other book incorporates all these fields, which have arisen in the past 25 years. The procedures are applicable in many fields, including energy, transportation, environmental studies, health, labor, and marketing.




Story and Simulations for Serious Games


Book Description

How to create a simulation where participants have a sense of freedom and personal control while still maintaining the structure necessary for an effective story is a difficult task indeed. This book examines how to create an engaging, effective story (necessary to teach participants), while relating practical considerations of building a simulation. It also looks at stories as classic ways of teaching and gathering knowledge and considers other theories of interactive narrative design such as synthetic story creation and management and participant-generated story experiences. It also discusses enabling technologies in artificial intelligence, synthetic characters design and development, speech recognition technology, 3D modelling, and the future of story-driven games. Story Driven Simulations reviews the existing efforts in this field as well as focusing on the recent efforts of Paramount Pictures and The Institute for Creative Technologies at the University of Southern California, where this expert author team created successful simulations for the U.S. Army, Department of Defense, as well as other educational simulations.




Modelling and Simulation


Book Description

This book provides a balanced and integrated presentation of modelling and simulation activity for both Discrete Event Dynamic Systems (DEDS) and Continuous Time Dynamic Systems (CYDS). The authors establish a clear distinction between the activity of modelling and that of simulation, maintaining this distinction throughout. The text offers a novel project-oriented approach for developing the modelling and simulation methodology, providing a solid basis for demonstrating the dependency of model structure and granularity on project goals. Comprehensive presentation of the verification and validation activities within the modelling and simulation context is also shown.




Computer Simulation of Liquids


Book Description

Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods.




Simulation For The Social Scientist


Book Description

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




Probability and Simulation


Book Description

This undergraduate textbook presents an inquiry-based learning course in stochastic models and computing designed to serve as a first course in probability. Its modular structure complements a traditional lecture format, introducing new topics chapter by chapter with accompanying projects for group collaboration. The text addresses probability axioms leading to Bayes’ theorem, discrete and continuous random variables, Markov chains, and Brownian motion, as well as applications including randomized algorithms, randomized surveys, Benford’s law, and Monte Carlo methods. Adopting a unique application-driven approach to better study probability in action, the book emphasizes data, simulation, and games to strengthen reader insight and intuition while proving theorems. Additionally, the text incorporates codes and exercises in the Julia programming language to further promote a hands-on focus in modelling. Students should have prior knowledge of single variable calculus. Giray Ökten received his PhD from Claremont Graduate University. He has held academic positions at University of Alaska Fairbanks, Ball State University, and Florida State University. He received a Fulbright U.S. Scholar award in 2015. He is the author of an open access textbook in numerical analysis, First Semester in Numerical Analysis with Julia, published by Florida State University Libraries, and a co-author of a children’s math book, The Mathematical Investigations of Dr. O and Arya, published by Tumblehome. His research interests include Monte Carlo methods and computational finance.