Atomistic Computer Simulations PDF Download
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Author: Veronika Brázdová
Publisher: John Wiley & Sons
ISBN: 3527671838
Category : Science
Languages : en
Pages : 291
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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
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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: Martin J. Field
Publisher: Cambridge University Press
ISBN: 1139465813
Category : Science
Languages : en
Pages : 294
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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: Karline Soetaert
Publisher: Springer Science & Business Media
ISBN: 1402086237
Category : Science
Languages : en
Pages : 376
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Book Description
Mathematical modelling is an essential tool in present-day ecological research. Yet for many ecologists it is still problematic to apply modelling in their research. In our experience, the major problem is at the conceptual level: proper understanding of what a model is, how ecological relations can be translated consistently into mathematical equations, how models are solved, steady states calculated and interpreted. Many textbooks jump over these conceptual hurdles to dive into detailed formulations or the mathematics of solution. This book attempts to fill that gap. It introduces essential concepts for mathematical modelling, explains the mathematics behind the methods, and helps readers to implement models and obtain hands-on experience. Throughout the book, emphasis is laid on how to translate ecological questions into interpretable models in a practical way. The book aims to be an introductory textbook at the undergraduate-graduate level, but will also be useful to seduce experienced ecologists into the world of modelling. The range of ecological models treated is wide, from Lotka-Volterra type of principle-seeking models to environmental or ecosystem models, and including matrix models, lattice models and sequential decision models. All chapters contain a concise introduction into the theory, worked-out examples and exercises. All examples are implemented in the open-source package R, thus taking away problems of software availability for use of the book. All code used in the book is available on a dedicated website.
Author: Adarshpal S. Sethi
Publisher: CRC Press
ISBN: 1439812055
Category : Computers
Languages : en
Pages : 531
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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: M. P. Allen
Publisher: Oxford University Press
ISBN: 9780198556459
Category : Computers
Languages : en
Pages : 412
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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: Dr. Frederick Kuhl
Publisher: Prentice Hall
ISBN:
Category : Computers
Languages : en
Pages : 248
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Book Description
This book is an introduction to the High Level Architecture for modeling and simulation. The HLA is a software architecture for creating computer models and simulation out of component models or simulations. HLA was adopted by the US Defense Dept. The book is an introduction to HLA for application developers.
Author: Faouzi Zarai
Publisher: Morgan Kaufmann
ISBN: 0128011580
Category : Computers
Languages : en
Pages : 965
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Book Description
Modeling and Simulation of Computer Networks and Systems: Methodologies and Applications introduces you to a broad array of modeling and simulation issues related to computer networks and systems. It focuses on the theories, tools, applications and uses of modeling and simulation in order to effectively optimize networks. It describes methodologies for modeling and simulation of new generations of wireless and mobiles networks and cloud and grid computing systems. Drawing upon years of practical experience and using numerous examples and illustrative applications recognized experts in both academia and industry, discuss: - Important and emerging topics in computer networks and systems including but not limited to; modeling, simulation, analysis and security of wireless and mobiles networks especially as they relate to next generation wireless networks - Methodologies, strategies and tools, and strategies needed to build computer networks and systems modeling and simulation from the bottom up - Different network performance metrics including, mobility, congestion, quality of service, security and more... Modeling and Simulation of Computer Networks and Systems is a must have resource for network architects, engineers and researchers who want to gain insight into optimizing network performance through the use of modeling and simulation. - Discusses important and emerging topics in computer networks and Systems including but not limited to; modeling, simulation, analysis and security of wireless and mobiles networks especially as they relate to next generation wireless networks - Provides the necessary methodologies, strategies and tools needed to build computer networks and systems modeling and simulation from the bottom up - Includes comprehensive review and evaluation of simulation tools and methodologies and different network performance metrics including mobility, congestion, quality of service, security and more
Author: Clark Aldrich
Publisher: John Wiley & Sons
ISBN: 0470464828
Category : Business & Economics
Languages : en
Pages : 403
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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: Debra Nestel
Publisher: Springer Nature
ISBN: 3030268373
Category : Science
Languages : en
Pages : 356
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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.
