Atomistic Computer Simulations PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Atomistic Computer Simulations PDF full book. Access full book title Atomistic Computer Simulations by Veronika Brázdová. Download full books in PDF and EPUB format.
Author: Veronika Brázdová
Publisher: John Wiley & Sons
ISBN: 3527671838
Category : Science
Languages : en
Pages : 291
Get Book Here
Book Description
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Author: Veronika Brázdová
Publisher: John Wiley & Sons
ISBN: 3527671838
Category : Science
Languages : en
Pages : 291
Get Book Here
Book Description
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Author: Alexander K Hartmann
Publisher: World Scientific Publishing Company
ISBN: 9814571792
Category : Science
Languages : en
Pages : 483
Get Book Here
Book Description
This book teaches you all necessary (problem-independent) tools and techniques needed to implement and perform sophisticated scientific numerical simulations. Thus, it is suited for undergraduate and graduate students who want to become experts in computer simulations in Physics, Chemistry, Biology, Engineering, Computer Science and other fields.
Author: Adarshpal S. Sethi
Publisher: CRC Press
ISBN: 1439812055
Category : Computers
Languages : en
Pages : 531
Get Book Here
Book Description
One of the first books to provide a comprehensive description of OPNET® IT Guru and Modeler software, The Practical OPNET® User Guide for Computer Network Simulation explains how to use this software for simulating and modeling computer networks. The included laboratory projects help readers learn different aspects of the software in a hands-on way. Quickly Locate Instructions for Performing a Task The book begins with a systematic introduction to the basic features of OPNET, which are necessary for performing any network simulation. The remainder of the text describes how to work with various protocol layers using a top-down approach. Every chapter explains the relevant OPNET features and includes step-by-step instructions on how to use the features during a network simulation. Gain a Better Understanding of the "Whats" and "Whys" of the Simulations Each laboratory project in the back of the book presents a complete simulation and reflects the same progression of topics found in the main text. The projects describe the overall goals of the experiment, discuss the general network topology, and give a high-level description of the system configuration required to complete the simulation. Discover the Complex Functionality Available in OPNET By providing an in-depth look at the rich features of OPNET software, this guide is an invaluable reference for IT professionals and researchers who need to create simulation models. The book also helps newcomers understand OPNET by organizing the material in a logical manner that corresponds to the protocol layers in a network.
Author: Martin J. Field
Publisher: Cambridge University Press
ISBN: 1139465813
Category : Science
Languages : en
Pages : 294
Get Book Here
Book Description
Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.
Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
Get Book Here
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.
Author: Debra Nestel
Publisher: Springer Nature
ISBN: 3030268373
Category : Science
Languages : en
Pages : 356
Get Book Here
Book Description
This book provides readers with a detailed orientation to healthcare simulation research, aiming to provide descriptive and illustrative accounts of healthcare simulation research (HSR). Written by leaders in the field, chapter discussions draw on the experiences of the editors and their international network of research colleagues. This seven-section practical guide begins with an introduction to the field by relaying the key components of HSR. Sections two, three, four, and five then cover various topics relating to research literature, methods for data integration, and qualitative and quantitative approaches. Finally, the book closes with discussions of professional practices in HSR, as well as helpful tips and case studies.Healthcare Simulation Research: A Practical Guide is an indispensable reference for scholars, medical professionals and anyone interested in undertaking HSR.
Author: Abdessalem Jerbi
Publisher: John Wiley & Sons
ISBN: 139433222X
Category : Technology & Engineering
Languages : en
Pages : 324
Get Book Here
Book Description
The use of discrete-event simulation in various fields, such as in industry, logistics and public health, has really taken off over the last few decades. The implementation of discrete-event simulation does however require an understanding, and perhaps even a mastery, of precise theoretical and methodological principles. Discrete-Event Simulation presents the key concepts involved in any discrete-event simulation project, covering the most frequently used techniques for analysing data and results, the methodological and practical aspects of implementing discrete-event simulation, along with an introduction to the use of the “Arena” discrete-event simulation tool. This book combines the elements presented with applied examples, as well as numerous examples of simulation projects in various fields.
Author: Murilo G. Coutinho
Publisher: Springer Science & Business Media
ISBN: 1447144171
Category : Computers
Languages : en
Pages : 402
Get Book Here
Book Description
This book introduces the techniques needed to produce realistic simulations and animations of particle and rigid-body systems. The text focuses on both the theoretical and practical aspects of developing and implementing physically based dynamic-simulation engines. Each chapter examines numerous algorithms, describing their design and analysis in an accessible manner, without sacrificing depth of coverage or mathematical rigor. Features: examines the problem of computing an hierarchical representation of the geometric description of each simulated object, as well as the simulated world; discusses the use of discrete and continuous collision detection to handle thin or fast-moving objects; describes the computational techniques needed for determining all impulsive and contact forces between bodies with multiple simultaneous collisions and contacts; presents techniques that can be used to dynamically simulate articulated rigid bodies; concludes each chapter with exercises.
Author: Clark Aldrich
Publisher: John Wiley & Sons
ISBN: 0470464828
Category : Business & Economics
Languages : en
Pages : 403
Get Book Here
Book Description
Designed for learning professionals and drawing on both game creators and instructional designers, Learning by Doing explains how to select, research, build, sell, deploy, and measure the right type of educational simulation for the right situation. It covers simple approaches that use basic or no technology through projects on the scale of computer games and flight simulators. The book role models content as well, written accessibly with humor, precision, interactivity, and lots of pictures. Many will also find it a useful tool to improve communication between themselves and their customers, employees, sponsors, and colleagues. As John Coné, former chief learning officer of Dell Computers, suggests, “Anyone who wants to lead or even succeed in our profession would do well to read this book.”
Author: Mohamed M Hafez
Publisher: World Scientific
ISBN: 9811209928
Category : Computers
Languages : en
Pages : 234
Get Book Here
Book Description
This book is written to introduce computer simulations to undergraduate college students, freshmen to seniors, in STEM fields. The book starts with concepts from Basic Mathematics: Geometry, Algebra and Calculus, Properties of Elementary Functions (Polynomials, Exponential, Hyperbolic and Trigonometric Functions) are studied and simple differential equations representing these functions are derived. Numerical approximations of first and second order differential equations are studied in terms of finite differences on uniform grids. Computer solutions are obtained via recursive relations or solutions of simultaneous algebraic equations. Comparisons with the exact solutions (known a priori) allow the calculations of the error due to discretization. After the students build confidence in this approach, more problems where the solutions are not known a priori are tackled with applications in many fields. Next, the book gradually addresses linear differential equations with variable coefficients and nonlinear differential equations, including problems of bifurcation and chaos.Applications in Dynamics, Solid Mechanics, Fluid Mechanics, Heat Transfer, Chemical Reactions, and Combustion are included. Biographies of 50 pioneering mathematicians and scientists who contributed to the materials of the book are briefly sketched, to shed light on the history of these STEM fields.Finally, the main concepts discussed in the book, are summarized to make sure that the students do not miss any of them. Also, references for further readings are given for interested readers.
