THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX.

FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
-JOURNAL OF MOLECULAR GRAPHICS AND MODELING

"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

This book provides new and seasoned users with step-by-step procedures on creating and modifying 3D models, working with cameras and lights, assigning materials to objects, rendering, and printing. Unlike many AutoCAD competitors, it uses mixed units - inches, meters, feet, kilometers, etc., to illustrate the myriad tools for this popular application. Use the companion DVD to set up drawing exercises and projects, see all of the book s figures in color, and draw with a trial version of AutoCAD 2012. AutoCAD 2012 3D Modeling includes 50 mini-workshops, that complete small projects from concept through actual plotting. Solving all of the workshops will simulate the creation of four full projects (architectural and mechanical) from beginning to end, without overlooking any of the basic commands and functions in AutoCAD 2012.BRIEF TABLE OF CONTENTS: 1: AutoCAD 2012 3D Basics. 2: About Solids. 3: About Meshes. 4: About Surfaces. 5: 3D Modifying Commands. 6: Converting, Sectioning, and 3D Objects Printing. 7: Cameras, Lights, Materials, and Rendering. 8: Visual Styles, Animation, and 3D DWF."

3D image reconstruction is used in many fields, such as medicine, entertainment, and computer science. This highly demanded process comes with many challenges, such as images becoming blurry by atmospheric turbulence, getting snowed with noise, or becoming damaged within foreign regions. It is imperative to remain well-informed with the latest research in this field. Recent Advances in 3D Imaging, Modeling, and Reconstruction is a collection of innovative research on the methods and common techniques of image reconstruction as well as the accuracy of these methods. Featuring coverage on a wide range of topics such as ray casting, holographic techniques, and machine learning, this publication is ideally designed for graphic designers, computer engineers, medical professionals, robotics engineers, city planners, game developers, researchers, academicians, and students.

Filled with illustrated, step-by-step examples, this hands-on TAB guide shows you how to use SketchUp to make a digital model and how to use a personal machine, service bureau, or community Maker Space to fabricate it. 3D Printing and CNC Fabrication with SketchUp gives you the practical knowledge needed to model and fabricate your own creations. You'll learn how to use SketchUp to create models both for additive (3D printing) and subtractive (CNC) fabrication. This practical resource will help you to very quickly master the skills needed to create, troubleshoot, and produce professional products. Step-by-step tutorials show how to use SketchUp Make and Pro through a variety of compelling examples Discussion of fabrication suitability is woven throughout the whole digital modeling processDescribes how to use third-party tools that analyze the finished software model for printing suitabilityProvides instructions for printing the model on a personal machine, through a service bureau, or at a community Maker Space

Seeking new methods to satisfy increasing communication demands, researchers continue to find inspiration from the complex systems found in nature. From ant-inspired allocation to a swarm algorithm derived from honeybees, Bio-Inspired Computing and Networking explains how the study of biological systems can significantly improve computing, networking, and robotics. Containing contributions from leading researchers from around the world, the book investigates the fundamental aspects and applications of bio-inspired computing and networking. Presenting the latest advances in bio-inspired communication, computing, networking, clustering, optimization, and robotics, the book considers state-of-the-art approaches, novel technologies, and experimental studies, including bio-inspired: * Optimization of dynamic NP-hard problems * Top-down controller design for distributing a robot swarm among multiple tasks * Self-organizing data and signals cellular systems * Dynamic spectrum access in cognitive radio networks * QoS-aware architecture for scalable, adaptive, and survivable network systems * Locomotion control of the Hexapod Robot Gregor III The book explores bio-inspired topology control and reconfiguration methods, as well as bio-inspired localization, synchronization, and mobility approaches. Providing wide-ranging coverage that includes past approaches, current challenges, and emerging concepts such as the evolution and self-healing of network architectures and protocols, this comprehensive reference provides you with the well-rounded understanding you need to continue the advancement of the development, design, and implementation of bio-inspired computing and networking.

The metaphor of the adaptive landscape - that evolution via the process of natural selection can be visualized as a journey across adaptive hills and valleys, mountains and ravines - permeates both evolutionary biology and the philosophy of science. The focus of this 2006 book is to demonstrate to the reader that the adaptive landscape concept can be put into actual analytical practice through the usage of theoretical morphospaces - geometric spaces of both existent and non-existent biological form - and to demonstrate the power of the adaptive landscape concept in understanding the process of evolution. The adaptive landscape concept further allows us to take a spatial approach to the concepts of natural selection, evolutionary constraint and evolutionary development. For that reason, this book relies heavily on spatial graphics to convey the concepts developed within these pages, and less so on formal mathematics.

Simulations have reached new levels of precision with the acceleration of progress in computing and processing power. The amounts of data that can be processed and analyzed allow new methodological advances and inspire researchers across disciplines to ask new research questions. The objectives of this edited volume therefore are - to identify new areas of research in which computer-based simulations allow for results and conclusions that would have not been possible without simulations - to evaluate the opportunities and the limits of computer-based simulations - and to foster trans-disciplinary scientific work that explores the potentials of e.g. methods of theoretical physics for areas of economic research.

Essential skills for first-time programmers! This easy-to-use book explains the fundamentals of UML. Youll learn to read, draw, and use this visual modeling language to create clear and effective blueprints for software development projects. The modular approach of this series--including drills, sample projects, and mastery checks--makes it easy to learn to use this powerful programming language at your own pace.

The role of simulation modeling in understanding dynamic processes is now extending beyond research and university curricula to pre-college education. Computer modeling offers the promise of transforming teaching of many subjects, notably science, and is enhanced by the adoption of new standards for science education, the increasing access to scientific information through computer networks, and the availability of powerful, user-friendly modeling software. This book and its accompanying software will bring the tools and excitement of modeling to pre-college teachers, to researchers involved in curriculum development, and to software developers interested in the pre-college market.

This book presents a process for problem resolution, policy crafting, and decision making based on the use of modeling and simulation. Detailed descriptions of the methods by which Visual SLAM and AweSim, version 3, support this process are presented. The text is organized into four parts: Introduction to Simulation, Visual SLAM Network Modeling and AweSim, Simulation Analysis, and Visual SLAM Discrete, Continuous and Combined Modeling.

This book introduces and the new computer-based research methods for studying and modeling complex social phenomena. It is the first coherent collection that surveys the impact that computer-based methods have had on the social and behavioural sciences and illustrates the potential for future research. The methods are presented in an accessible manner and do not assume any background in computer science. The authors introduce each chapter and explain how computers can help to study social processes and each method is described in relation to a substantive issue to show how it can contribute to our understanding of complex problems. The themes covered include computer simulation, neural and social networks and the visualization of complex network data.

Why model computationally? Because these methods allow researchers to combine the rich detail of qualitative research with the rigor of quantitative and formal research, as well as to represent complex structures and processes within a theoretical model. The authors treat computational methods, including dynamic simulation (Monte Carlo methods), knowledge-based models (semantic networks, frame systems, and rule-based systems), and machine learning (connectionism, rule induction, and genetic algorithms), as a single broad-based class of research tools and develop a framework for incorporating them within established traditions of social science research. They provide a concise description of each method and a variety of social science illustrations including four detailed examples. Common to most of these methods is a straightforward underlying approach: simulate the theory by running the program. Computational Modeling concludes with a discussion of ways to validate computational models.

Wolfgang Engel's GPU Pro 360 Guide to GPGPU gathers all the cutting-edge information from his previous seven GPU Pro volumes into a convenient single source anthology that covers general purpose GPU. This volume is complete with 19 articles by leading programmers that focus on the techniques that go beyond the normal pixel and triangle scope of GPUs and take advantage of the parallelism of modern graphics processors to accomplish such tasks. GPU Pro 360 Guide to GPGPU is comprised of ready-to-use ideas and efficient procedures that can help solve many computer graphics programming challenges that may arise. Key Features: Presents tips & tricks on real-time rendering of special effects and visualization data on common consumer software platforms such as PCs, video consoles, mobile devices Covers specific challenges involved in creating games on various platforms Explores the latest developments in rapidly evolving field of real-time rendering Takes practical approach that helps graphics programmers solve their daily challenges

The latest edition of this bestselling game development reference offers proven tips and techniques for the real-time rendering of special effects and visualization data that are useful for beginners and seasoned game and graphics programmers alike. Exploring recent developments in the rapidly evolving field of real-time rendering, GPU Pro6: Advanced Rendering Techniques assembles a high-quality collection of cutting-edge techniques for advanced graphics processing unit (GPU) programming. It incorporates contributions from more than 45 experts who cover the latest developments in graphics programming for games and movies. The book covers advanced rendering techniques that run on the DirectX or OpenGL runtimes, as well as on any other runtime with any language available. It details the specific challenges involved in creating games across the most common consumer software platforms such as PCs, video consoles, and mobile devices. The book includes coverage of geometry manipulation; rendering techniques, handheld devices programming, effects in image space, shadows, 3D engine design, graphics-related tools, and environmental effects. It also includes a dedicated section on general purpose GPU programming that covers CUDA, DirectCompute, and OpenCL examples. In color throughout, GPU Pro6 presents ready-to-use ideas and procedures that can help solve many of your daily graphics programming challenges. Example programs with downloadable source code are also provided on the book's CRC Press web page.

Bringing concrete examples from industry to light, this book explains how to use Blender to create visual effects for video/film production. It supplies readers with a practical way to learn how to use Blender's tools across a wide range of scenarios in video/film production, including setting up cameras on a stage, lighting, and other production processes. Maintaining a focus on composition, the book not only explains how to use the most common tools, such as tracking, rendering, and compositing, but also explains how to deal with software limitations and sort out problems. Since the best way to learn something is with a practical example, this book follows one of the author's own projects, starting with how to prepare the elements that will be needed later on. The example illustrates how to use Blender tools and features for scene tracking, setup, rendering, masking, and other post-production functions-from start to finish in a professional workflow. The book examines all the compositing nodes that can be used in Blender. It details time-saving tips, features such as the motion tracker, and rendering techniques so readers will have enough information to accomplish the most common tasks encountered in the creation of a professional visual effects composition. By following the example project presented in the book, you will gain the practical understanding required to use Blender's tools in the most common scenarios in video/film production. You will also gain industry insights into the limitations of the software and how to sort out the problematic scenarios that may come up through the various stages of your project.

Create Genuine Visual Realism in Computer Graphics Digital Representations of the Real World: How to Capture, Model, and Render Visual Reality explains how to portray visual worlds with a high degree of realism using the latest video acquisition technology, computer graphics methods, and computer vision algorithms. It explores the integration of new capture modalities, reconstruction approaches, and visual perception into the computer graphics pipeline. Understand the Entire Pipeline from Acquisition, Reconstruction, and Modeling to Realistic Rendering and Applications The book covers sensors for capturing 3D scenes, including regular cameras, wide-angle omnidirectional cameras, active range scanners, and plenoptic (multi-viewpoint) cameras, as well as fundamental algorithms for processing the imagery, such as stereo correspondence and 3D structure and motion recovery. It describes 3D modeling techniques, from generic object models (such as 3D meshes) to more domain-specific models (such as human shape and motion models). The book also discusses how techniques, including image- and video-based rendering, meet speed and realism requirements. Overcome Challenges in Your Own Research Experiments This book is both an accessible introduction to the emerging research of real-world visual computing and a practical guide that shows you how to start implementing frequently encountered methods.

Simulation Systems expolres a wide spectrum of topics including simulation software, logic simulation, query-driven simulation, multi-computer simulation and manufacturing simulation. Although such papers are presented in Journals and conference proceedings it is difficult to find a single source where the foremost papers are presented. Contributions in Simulation Systms are freom leading researchers and practioners which explore a wide spectrum of topics. The chapters include topics such as presentation of SIMULA/OBJECTR, which is a query driven simulation support environment and a method of translating automatically digital logic equations so that they may be simulated using VHDL. This is followed by simulation techniques for deterministic and statistical circuit design optimization. A mathematical model of a magnetic resonance imaging system is simulated so that one can better understand the imaging system.

Environmental science combined with computer technology. One click on a mouse and information flows into your PC from up to 10,000 miles away. When you receive this information you can ferret through the data and use it in any number of computer programs. The result: solutions to plant design problems that affect the health and well being of people around the globe. What does that mean to you, the environmental professional, scientist, or engineer?
Computer Simulated Plant Design for Waste Minimization/Pollution Prevention builds on the concepts introduced in Stan Bumble's Computer Generated Physical Properties, the first volume of the Computer Modeling for Environmental Management series. Bumble discusses using computer simulation programs to solve problems in plant design before they occur. He covers design issues for stationary and non-stationary sources of pollution, global warming, troposcopic ozone, and stratospheric ozone.
With Computer Simulated Plant Design for Waste Minimization/Pollution Prevention you will understand how to use computer technology to design plants that generate little or no pollution. Even better, you can use the information generated by computer simulation for technical data in proposals, presentations and as the basis for making policy decisions.

Focuses on the argument that performance modelling and simulation has become a central issue in computer science and engineering, in part due to its applications to the structures comprising the internet. Dealing primarily with theory, tools, and techniques related to communications systems, it provides tutorials and surveys and relates new important research results. Each chapter provides background information, describes and analyses important work done in the field, and provides important direction to the reader on future work and further readings. The topics covered include traffic models for ATM networks, simulation environments, analytical methods, interprocessor communications and an evaluation of process architectures.

Genetic algorithms have been used in science and engineering as adaptive algorithms for solving practical problems and as computational models of natural evolutionary systems. This brief, accessible introduction describes some of the most interesting research in the field and also enables readers to implement and experiment with genetic algorithms on their own. It focuses in depth on a small set of important and interesting topics -- particularly in machine learning, scientific modeling, and artificial life -- and reviews a broad span of research, including the work of Mitchell and her colleagues.

The descriptions of applications and modeling projects stretch beyond the strict boundaries of computer science to include dynamical systems theory, game theory, molecular biology, ecology, evolutionary biology, and population genetics, underscoring the exciting "general purpose" nature of genetic algorithms as search methods that can be employed across disciplines.

"An Introduction to Genetic Algorithms" is accessible to students and researchers in any scientific discipline. It includes many thought and computer exercises that build on and reinforce the reader's understanding of the text.

The first chapter introduces genetic algorithms and their terminology and describes two provocative applications in detail. The second and third chapters look at the use of genetic algorithms in machine learning (computer programs, data analysis and prediction, neural networks) and in scientific models (interactions among learning, evolution, and culture; sexual selection; ecosystems; evolutionary activity). Several approaches to the theory of genetic algorithms are discussed in depth in the fourth chapter. The fifth chapter takes up implementation, and the last chapter poses some currently unanswered questions and surveys prospects for the future of evolutionary computation.

Authors Ita G. G. Kreft and Jan de Leeuw have provided the first accessible and practical guide to using multilevel models in social research. Multilevel approaches are becoming increasingly important in social, behavioral, and educational research and it is clear from recent developments that such models are seen as more realisticùand potentially more revealingùthan ordinary regression models. While other books describe these multilevel models in considerable detail none focus on the practical issues and potential problems of doing multilevel analyses that are covered in Introducing Multilevel Modeling. The authorsÆ approach is user-oriented, keeping formal mathematics and statistics to a minimum. Other key features include the use of worked examples using real data sets, analyzed using the leading computer package for multilevel modeling.

This text brings together topical contributions from figures in the field of games and simulations, representing the current international thinking and best practice.

Kinetic models are becoming standard tools in the research of biological systems. They are used to represent hypotheses, analyze data, and design experiments to maximize the information obtained from a study. Kinetic Models of Trace Element and Mineral Metabolism During Development describes models for calcium, chromium, copper, iron, iodide, lead, mercury, selenium, zinc, and others in health and disease.

This second edition describes the fundamentals of modelling and simulation of continuous-time, discrete time, discrete-event and large-scale systems. Coverage new to this edition includes: a chapter on non-linear systems analysis and modelling, complementing the treatment of of continuous-time and discrete-time systems; and a chapter on the computer animation and visualization of dynamical systems motion.;College or university bookstores may order five or more copies at a special student price, available on request from Marcel Dekker Inc.