Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches.
With significant changes made to adjust for improved technology and increased computer literacy, Computational Chemistry Using the PC, Third Edition gives its readers the tools they need to translate theoretical principles into real computational problems, then proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field, will find this book to be an invaluable resource.

This book constitutes the thoroughly refereed proceedings of the Clausthal-Goettingen International Workshop on Simulation Science, held in Goettingen, Germany, in April 2017. The 16 full papers presented were carefully reviewed and selected from 40 submissions. The papers are organized in topical sections on simulation and optimization in networks, simulation of materials, distributed simulations.

This brief highlights the association of different performance variables that influences archery performance and the employment of different machine learning algorithms in the identification of potential archers. The sport of archery is often associated with a myriad of performance indicators namely bio-physiological, psychological, anthropometric as well as physical fitness. Traditionally, the determination of potential archers is carried out by means of conventional statistical techniques. Nonetheless, such methods often fall short in associating non-linear relationships between the variables. This book explores the notion of machine learning that is capable of mitigating the aforesaid issue. This book is valuable for coaches and managers in identifying potential archers during talent identification programs.

This book highlights a set of selected, revised and extended papers from the 7th International Conference on Simulation and Modeling Methodologies, Technologies and Applications (SIMULTECH 2017), held in Madrid, Spain, on July 26 to 28, 2017. The conference brought together researchers, engineers and practitioners whose work involves methodologies in and applications of modeling and simulation. The papers showcased here represent the very best papers from the Conference, and report on a broad range of new and innovative solutions.

While some rigging books focus too much on the theory of rigging and provide little instruction, others do the exact opposite and offer no reasoning behind the button-pushing. An Essential Introduction to Maya Character Rigging, 2nd Edition, however, offers a perfect balance. Cheryl Briggs' text is built for the classroom, with step-by-step tutorials that guide the reader through the rigging process. With vibrant screenshots and a plethora of helpful tips, this book provides a strong foundation in character rigging for anyone who wants to pursue 3D animation or more advanced rigging topics. Features Provides readers with fundamental techniques to give them a firm grasp on Maya character rigging. Thorough step-by-step tutorials, which provides instruction on how to create biped, quadruped, and prop rigs. Continuous updates and further support can be located at www.cherylcreates.com Cheryl Briggs (formerly Cabrera) is an award-winning animated short film director. She has advised and guided aspiring animators, game artists, and visual effects artists for 20 years. Since 2009, Cheryl has taught all aspects of production in the Character Animation specialization in the School of Visual Arts and Design at the University of Central Florida. She also taught as Professor of Animation at the Savannah College of Art and Design from 2001 to 2009. Cheryl is currently on the Board of Directors for the Animation Hall of Fame. She also is a member of the Special Interest Group on Computer Graphics and Interactive Techniques (SIGGRAPH), the International Animated Film Society (ASIFA-Hollywood), Women in Animation, Women in Film and Television, and the Society for Animation Studies. Cheryl is also an Autodesk Certified Professional and an Autodesk Certified Instructor in Maya. She is the author of An Essential Introduction to Maya Character Rigging (Focal Press, 2008), Reel Success: Creating Demo Reels and Animation Portfolios (Focal Press, 2013), and Animating Short Stories: Narrative Techniques and Visual Design (Bloomsbury Academic, 2019). Cheryl holds a B.A. and M.Ed. in Education and an M.F.A. in Computer Art with a specialization in 3D Animation. She is a digital artist and animator that blends the lines between digital imagery and the traditional painting medium. She has participated is numerous group and solo exhibitions in the United States and her work is featured in several private collections. Her award-winning students have been featured in animation festivals worldwide, and many have gone on to work within the entertainment industry.

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."

This book constitutes thoroughly revised and selected papers from the 4th International Conference on Model-Driven Engineering and Software Development, MODELSWARD 2016, held in Rome, Italy, in February 2016.The 17 thoroughly revised and extended papers presented in this volume were carefully reviewed and selected from 118 submissions. They are organized in topical sections named: modeling languages, tools and architectures; methodologies, processes and platforms; applications and software development.

This book introduces a methodology for solving the seismic inverse problem using purely numerical solutions built on 3D wave equations and which is free of the approximations or simplifications that are common in classical seismic inversion methodologies and therefore applicable to arbitrary 3D geological media and seismic source models. Source codes provided allow readers to experiment with the calculations demonstrated and also explore their own applications.

This book constitutes the refereed proceedings of the Second International Symposium on Dependable Software Engineering: Theories, Tools, and Applications, SETTA 2016, held in Beijing, China, in November 2016. The 17 full papers presented together with 3 short papers were carefully reviewed and selected from 58 submissions. The aim of the symposium is to bring together international researchers and practitioners in the field of software technology. Its focus is on formal methods and advanced software technologies, especially for engineering complex, large-scale artifacts like cyber-physical systems, networks of things, enterprise systems, or cloud-based services.

This three volume set, CCIS 771, 772, 773, constitutes the refereed proceedings of the CCF Chinese Conference on Computer Vision, CCCV 2017, held in Tianjin, China, in October 2017. The total of 174 revised full papers presented in three volumes were carefully reviewed and selected from 465 submissions. The papers are organized in the following topical sections: biological vision inspired visual method; biomedical image analysis; computer vision applications; deep neural network; face and posture analysis; image and video retrieval; image color and texture; image composition; image quality assessment and analysis; image restoration; image segmentation and classification; image-based modeling; object detection and classification; object identification; photography and video; robot vision; shape representation and matching; statistical methods and learning; video analysis and event recognition; visual salient detection.

This book proposes complex hierarchical deep architectures (HDA) for predicting bankruptcy, a topical issue for business and corporate institutions that in the past has been tackled using statistical, market-based and machine-intelligence prediction models. The HDA are formed through fuzzy rough tensor deep staking networks (FRTDSN) with structured, hierarchical rough Bayesian (HRB) models. FRTDSN is formalized through TDSN and fuzzy rough sets, and HRB is formed by incorporating probabilistic rough sets in structured hierarchical Bayesian model. Then FRTDSN is integrated with HRB to form the compound FRTDSN-HRB model. HRB enhances the prediction accuracy of FRTDSN-HRB model. The experimental datasets are adopted from Korean construction companies and American and European non-financial companies, and the research presented focuses on the impact of choice of cut-off points, sampling procedures and business cycle on the accuracy of bankruptcy prediction models. The book also highlights the fact that misclassification can result in erroneous predictions leading to prohibitive costs to investors and the economy, and shows that choice of cut-off point and sampling procedures affect rankings of various models. It also suggests that empirical cut-off points estimated from training samples result in the lowest misclassification costs for all the models. The book confirms that FRTDSN-HRB achieves superior performance compared to other statistical and soft-computing models. The experimental results are given in terms of several important statistical parameters revolving different business cycles and sub-cycles for the datasets considered and are of immense benefit to researchers working in this area.

This three volume set, CCIS 771, 772, 773, constitutes the refereed proceedings of the CCF Chinese Conference on Computer Vision, CCCV 2017, held in Tianjin, China, in October 2017. The total of 174 revised full papers presented in three volumes were carefully reviewed and selected from 465 submissions. The papers are organized in the following topical sections: biological vision inspired visual method; biomedical image analysis; computer vision applications; deep neural network; face and posture analysis; image and video retrieval; image color and texture; image composition; image quality assessment and analysis; image restoration; image segmentation and classification; image-based modeling; object detection and classification; object identification; photography and video; robot vision; shape representation and matching; statistical methods and learning; video analysis and event recognition; visual salient detection

This three volume set, CCIS 771, 772, 773, constitutes the refereed proceedings of the CCF Chinese Conference on Computer Vision, CCCV 2017, held in Tianjin, China, in October 2017. The total of 174 revised full papers presented in three volumes were carefully reviewed and selected from 465 submissions. The papers are organized in the following topical sections: biological vision inspired visual method; biomedical image analysis; computer vision applications; deep neural network; face and posture analysis; image and video retrieval; image color and texture; image composition; image quality assessment and analysis; image restoration; image segmentation and classification; image-based modeling; object detection and classification; object identification; photography and video; robot vision; shape representation and matching; statistical methods and learning; video analysis and event recognition; visual salient detection.

The methods considered in the 7th conference on "Finite Volumes for Complex Applications" (Berlin, June 2014) have properties which offer distinct advantages for a number of applications. The second volume of the proceedings covers reviewed contributions reporting successful applications in the fields of fluid dynamics, magnetohydrodynamics, structural analysis, nuclear physics, semiconductor theory and other topics. The finite volume method in its various forms is a space discretization technique for partial differential equations based on the fundamental physical principle of conservation. Recent decades have brought significant success in the theoretical understanding of the method. Many finite volume methods preserve further qualitative or asymptotic properties, including maximum principles, dissipativity, monotone decay of free energy, and asymptotic stability. Due to these properties, finite volume methods belong to the wider class of compatible discretization methods, which preserve qualitative properties of continuous problems at the discrete level. This structural approach to the discretization of partial differential equations becomes particularly important for multiphysics and multiscale applications. Researchers, PhD and masters level students in numerical analysis, scientific computing and related fields such as partial differential equations will find this volume useful, as will engineers working in numerical modeling and simulations.

This four-volume set (CCIS 643, 644, 645, 646) constitutes the refereed proceedings of the 16th Asia Simulation Conference and the First Autumn Simulation Multi-Conference, AsiaSim / SCS AutumnSim 2016, held in Beijing, China, in October 2016. The 265 revised full papers presented were carefully reviewed and selected from 651 submissions. The papers in this fourth volume of the set are organized in topical sections on Modeling and Simulation Applications; Simulation Software; Social Simulations; Verification, Validation and Accreditation.

This four-volume set (CCIS 643, 644, 645, 646) constitutes the refereed proceedings of the 16th Asia Simulation Conference and the First Autumn Simulation Multi-Conference, AsiaSim / SCS AutumnSim 2016, held in Beijing, China, in October 2016. The 265 revised full papers presented were carefully reviewed and selected from 651 submissions. The papers in this second volume of the set are organized in topical sections on HMI and robot simulations; modeling and simulation for intelligent manufacturing; military simulation; visualization and virtual reality.

This four-volume set (CCIS 643, 644, 645, 646) constitutes the refereed proceedings of the 16th Asia Simulation Conference and the First Autumn Simulation Multi-Conference, AsiaSim / SCS AutumnSim 2016, held in Beijing, China, in October 2016. The 265 revised full papers presented were carefully reviewed and selected from 651 submissions. The papers in this third volume of the set are organized in topical sections on Cloud technologies in simulation applications; fractional calculus with applications and simulations; modeling and simulation for energy, environment and climate; SBA virtual prototyping engineering technology; simulation and Big Data.

Benjamin Meyer performs several psycho-physical experiments to measure the re-adaptation process of glared drivers in traffic scenarios. The author then develops a novel tone mapping algorithm to simulate the recurring contrast perception of the human eye by adjusting the displayed contrast. Depending on background illumination, bright light sources cause considerable perception restrictions for a glared viewer and can deter the driver from perceiving critical objects for several seconds and severely increase the risk of accidents. Based on the results of the conducted user studies, this vision impairment is integrated into a night driving simulator. The modified driving simulation provides a more realistic visualization and enables the analysis of critical traffic scenarios including short-time headlight glares. This leads to better transferability of driving simulator results and enables investigating driving behavior in the presence of glare.

This book constitutes the refereed proceedings of the 7th International Conference on Concept Mapping, CMC 2016, held in Tallinn, Estonia, in September 2016. The 25 revised full papers presented were carefully reviewed and selected from 135 submissions. The papers address issues such as facilitation of learning; eliciting, capturing, archiving, and using "expert" knowledge; planning instruction; assessment of "deep" understandings; research planning; collaborative knowledge modeling; creation of "knowledge portfolios"; curriculum design; eLearning, and administrative and strategic planning and monitoring.

This tutorial provides the application of the coupling interface OGS#IPhreeqc (open-source scientific software) to model reactive mass transport processes in environmental subsurface systems. It contains general information regarding reactive transport modeling and step-by-step model set-up with OGS#IPhreeqc and related components such as GINA and ParaView. Benchmark examples (1D to 2D) are presented in detail. The book is intended primarily for graduate students and applied scientists who deal with reactive transport modeling. It also gives valuable information to the professional geoscientists wishing to advance their knowledge in numerical simulation, with the focus on the fate and transport of nitrate. It is the third volume in a series that represents the further application of computational modeling in hydrological science.

The three-volume set CCIS 761, CCIS 762, and CCIS 763 constitutes the thoroughly refereed proceedings of the International Conference on Life System Modeling and Simulation, LSMS 2017, and of the International Conference on Intelligent Computing for Sustainable Energy and Environment, ICSEE 2017, held in Nanjing, China, in September 2017. The 208 revised full papers presented were carefully reviewed and selected from over 625 submissions. The papers of this volume are organized in topical sections on: Biomedical Signal Processing; Computational Methods in Organism Modeling; Medical Apparatus and Clinical Applications; Bionics Control Methods, Algorithms and Apparatus; Modeling and Simulation of Life Systems; Data Driven Analysis; Image and Video Processing; Advanced Fuzzy and Neural Network Theory and Algorithms; Advanced Evolutionary Methods and Applications; Advanced Machine Learning Methods and Applications; Intelligent Modeling, Monitoring, and Control of Complex Nonlinear Systems; Advanced Methods for Networked Systems; Control and Analysis of Transportation Systems; Advanced Sliding Mode Control and Applications; Advanced Analysis of New Materials and Devices; Computational Intelligence in Utilization of Clean and Renewable Energy Resources; Intelligent Methods for Energy Saving and Pollution Reduction; Intelligent Methods in Developing Electric Vehicles, Engines and Equipment; Intelligent Computing and Control in Power Systems; Modeling, Simulation and Control in Smart Grid and Microgrid; Optimization Methods; Computational Methods for Sustainable Environment.

The three-volume set CCIS 761, CCIS 762, and CCIS 763 constitutes the thoroughly refereed proceedings of the International Conference on Life System Modeling and Simulation, LSMS 2017, and of the International Conference on Intelligent Computing for Sustainable Energy and Environment, ICSEE 2017, held in Nanjing, China, in September 2017. The 208 revised full papers presented were carefully reviewed and selected from over 625 submissions. The papers of this volume are organized in topical sections on: Biomedical Signal Processing; Computational Methods in Organism Modeling; Medical Apparatus and Clinical Applications; Bionics Control Methods, Algorithms and Apparatus; Modeling and Simulation of Life Systems; Data Driven Analysis; Image and Video Processing; Advanced Fuzzy and Neural Network Theory and Algorithms; Advanced Evolutionary Methods and Applications; Advanced Machine Learning Methods and Applications; Intelligent Modeling, Monitoring, and Control of Complex Nonlinear Systems; Advanced Methods for Networked Systems; Control and Analysis of Transportation Systems; Advanced Sliding Mode Control and Applications; Advanced Analysis of New Materials and Devices; Computational Intelligence in Utilization of Clean and Renewable Energy Resources; Intelligent Methods for Energy Saving and Pollution Reduction; Intelligent Methods in Developing Electric Vehicles, Engines and Equipment; Intelligent Computing and Control in Power Systems; Modeling, Simulation and Control in Smart Grid and Microgrid; Optimization Methods; Computational Methods for Sustainable Environment.

This book constitutes the refereed proceedings of the seven workshops co-located with the 14th International Conference on Practical Applications of Agents and Multi-Agent Systems, PAAMS 2016, held in Sevilla, Spain, in June 2016.The 37 full papers presented were carefully reviewed and selected from 77 submissions. The volume presents the papers that have been accepted for the following workshops: Workshop on Agents and Multi-Agent Systems for AAL and e-Health; Workshop on Agent-Based Solutions for Manufacturing and Supply Chain; Workshop on MAS for Complex Networks and Social Computation; Workshop on Decision Making in Dynamic Information Environments; Workshop on Intelligent Systems for Context-based Information Fusion; Workshop on Multi-Agent based Applications for Smart Grids and Sustainable Energy Systems; Workshop on Multiagent System based Learning Environments.

This volume on "Advances in Analysis and Design of Deep Foundations" contains 22 technical papers which cover various aspects of analysis and design of deep foundations based on full-scale field testing, numerical modeling, and analytical solutions. The technical papers are 8-10 pages long that present the results and findings from research as well as practical-oriented studies on deep foundations that are of interest to civil/geotechnical engineering community. The topics cover a wide spectrum of applications that include evaluation of the axial and lateral capacity of piles, pile group effects, evaluation of the increase in pile capacity with time (or pile setup), influence of excavation on pile capacity, study the behavior of pile raft caisson foundations, evaluate the bearing capacity and settlement of piles from cone penetration tests, etc. This volume is part of the proceedings of the 1st GeoMEast International Congress and Exhibition on Sustainable Civil Infrastructures, Egypt 2017.

This book constitutes the refereed proceedings of the 6th International Conference on Supercomputing, ISUM 2015, held in Mexico, Mexico, in March 2015. The 38 revised full papers presented were carefully reviewed and selected from 102 submissions. The papers are organized in topical sections on perspectives in supercomputer infrastructure and applications; parallel algorithms and optimization; HPC applications and simulations;