The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.
Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.
Covering developments in the field since the first publication, this title also includes updated text and new material on:

• Molecular Dynamics

• Dealing with the Solvent

The book examines the performance and optimization of systems where queueing and congestion are important constructs. Both finite and infinite queueing systems are examined. Many examples and case studies are utilized to indicate the breadth and depth of the queueing systems and their range of applicability. Blocking of these processes is very important and the book shows how to deal with this problem in an effective way and not only compute the performance measures of throughput, cycle times, and WIP but also to optimize the resources within these systems. The book is aimed at advanced undergraduate, graduate, and professionals and academics interested in network design, queueing performance models and their optimization. It assumes that the audience is fairly sophisticated in their mathematical understanding, although the explanations of the topics within the book are fairly detailed.

Understanding how to properly manage urban stormwater is a critical concern to civil and environmental engineers the world over. Mismanagement of stormwater and urban runoff results in flooding, erosion, and water quality problems. In an effort to develop better management techniques, engineers have come to rely on computer simulation and advanced mathematical modeling techniques to help plan and predict water system performance. This important book outlines a new method that uses probability tools to model how stormwater behaves and interacts in a combined- or single-system municipal water system. Complete with sample problems and case studies illustrating how concepts really work, the book presents a cost-effective, easy-to-master approach to analytical modeling of stormwater management systems.

This two-volume set CCIS 751 and CCIS 752 constitutes the proceedings of the 17th Asia Simulation Conference, AsiaSim 2017, held in Malacca, Malaysia, in August/September 2017. The 124 revised full papers presented in this two-volume set were carefully reviewed and selected from 267 submissions. The papers contained in these proceedings address challenging issues in modeling and simulation in various fields such as embedded systems; symbiotic simulation; agent-based simulation; parallel and distributed simulation; high performance computing; biomedical engineering; big data; energy, society and economics; medical processes; simulation language and software; visualization; virtual reality; modeling and Simulation for IoT; machine learning; as well as the fundamentals and applications of computing.

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 proceedings of the 15th International Conference on Modeling Decisions for Artificial Intelligence, MDAI 2018, held in Mallorca, Spain, in October 2018.The 24 papers presented in this volume were carefully reviewed and selected from 43 submissions. The book also contains one invited talk in full paper length. The papers were organized in topical sections named: aggregation operators, fuzzy measures and integrals; decision making; clustering and classification; and data privacy and security.

This text is about spreading of information and influence in complex networks. Although previously considered similar and modeled in parallel approaches, there is now experimental evidence that epidemic and social spreading work in subtly different ways. While previously explored through modeling, there is currently an explosion of work on revealing the mechanisms underlying complex contagion based on big data and data-driven approaches. This volume consists of four parts. Part 1 is an Introduction, providing an accessible summary of the state of the art. Part 2 provides an overview of the central theoretical developments in the field. Part 3 describes the empirical work on observing spreading processes in real-world networks. Finally, Part 4 goes into detail with recent and exciting new developments: dedicated studies designed to measure specific aspects of the spreading processes, often using randomized control trials to isolate the network effect from confounders, such as homophily. Each contribution is authored by leading experts in the field. This volume, though based on technical selections of the most important results on complex spreading, remains quite accessible to the newly interested. The main benefit to the reader is that the topics are carefully structured to take the novice to the level of expert on the topic of social spreading processes. This book will be of great importance to a wide field: from researchers in physics, computer science, and sociology to professionals in public policy and public health.

Animation is a limitless medium for telling stories. Artists can create worlds, defy gravity, flip from factual to fantasy, and transport audiences to places they never imagined. The challenge is having the discipline to reel it in and be intentional about your storytelling choices. This book shows you how. In Animated Storytelling, learn how to create memorable stories using animation and motion graphics by following 10 simple guidelines that take you through the stages of concept development, pre-production, storyboarding, and design. Explore traditional linear storytelling and learn different processes for creating successful nonlinear animated stories, and also discover the wonders of experimental filmmaking. Award-winning filmmaker, educator, and motivator Liz Blazer uses clear examples and easy-to-follow exercises to provide you with the instruction, encouragement, and tools you need to get your designs moving. Whether your goal is to create exciting shorts for film festivals, effective messaging for broadcast or online, or simply to gain a deeper understanding of the medium, Animated Storytelling simplifies the process of creating clear and engaging stories for animation and motion graphics so you can get started easily. Animated Storytelling teaches you how to: * Write a creative brief for your project * Find and communicate your story's Big Idea * Create tight stories with linear and nonlinear structures * Explore experimental filmmaking techniques * Use storyboards to communicate your visual story * Use color to clarify and enrich your story * Define the rules for your animated world * Ease into the challenging task of animation * Make the work you want to be hired to do * Share your work with the world! "Equal parts inspiring and practical, Animated Storytelling is a step-by-step guide that takes aspiring storytellers from raw idea to final render to distribution. -Justin Cone, Co-founder, Motionographer "This book is the instruction manual for navigating the complex world of animated storytelling. It's informative, inspirational, and extremely entertaining to read. Anyone working (or hoping to work) in the field of animation needs to read this. -Joey Korenman, CEO & Founder, School of Motion

This book constitutes the refereed proceedings of the First International Symposium on Human Mental Workload: Models and Applications, H-WORKLOAD 2017, held in Dublin, Ireland, in June 2017. The 15 revised full papers presented together with two keynotes were carefully reviewed and selected from 35 submissions. The papers are organized in two topical sections on models and applications.

This book introduces the use of the distinct element method (DEM) in modeling crowd behavior and simulating evacuation processes. Focusing on the mathematical computation of the uncertain behavior of evacuees, which is switching action behavior, it subsequently reproduces the crowd evacuation process under several conjectural scenarios using a DEM-based multi-agent model that has been modified by introducing the switching action behavior. The proposed switching action behavior model describes a person who has to change his/her destination due to the limited space capacity of the designated evacuation area. The change in the destination of a person is determined according to the motion of other individuals in the perception domain during the defined switching action time. The switching action time is formulated in the so-called switching action function, which is described by a convolution integral of the input and unit response functions. The newly developed switching action model is then validated using sensitivity analysis in which the primary focus is the crowd motion and flow of switching action behavior.

This volume contains the proceedings of the 12th International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2007, held September 2007 in Vienna, Austria. It provides a global forum for the presentation and discussion of recent advances and developments in the theoretical description, physical modeling and numerical simulation and analysis of semiconductor fabrication processes, device operation and system performance.

This book constitutes the refereed proceedings of the 11 workshops co-located with the 16th International Conference on Practical Applications of Agents and Multi-Agent Systems, PAAMS 2018, held in Toledo, Spain, in June 2018. The 47 full papers presented were carefully reviewed and selected from 72 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 Applications for Air Transport; Workshop on Agent-based Artificial Markets Computational Economics; Workshop on Agent-Based Solutions for Manufacturing and Supply Chain; Workshop on MAS for Complex Networks and Social Computation; Workshop on Intelligent Systems and Context Information Fusion; Workshop on Multi-agent based Applications for Energy Markets, Smart Grids and Sustainable Energy Systems; Workshop on Multiagent System based Learning Environments; Workshop on Smart Cities and Intelligent Agents; Workshop on Swarm Intelligence and Swarm Robotics; Workshop on Multi-Agent Systems and Simulation.

This book offers a rigorous and self-contained presentation of stochastic integration and stochastic calculus within the general framework of continuous semimartingales. The main tools of stochastic calculus, including Ito's formula, the optional stopping theorem and Girsanov's theorem, are treated in detail alongside many illustrative examples. The book also contains an introduction to Markov processes, with applications to solutions of stochastic differential equations and to connections between Brownian motion and partial differential equations. The theory of local times of semimartingales is discussed in the last chapter. Since its invention by Ito, stochastic calculus has proven to be one of the most important techniques of modern probability theory, and has been used in the most recent theoretical advances as well as in applications to other fields such as mathematical finance. Brownian Motion, Martingales, and Stochastic Calculus provides a strong theoretical background to the reader interested in such developments. Beginning graduate or advanced undergraduate students will benefit from this detailed approach to an essential area of probability theory. The emphasis is on concise and efficient presentation, without any concession to mathematical rigor. The material has been taught by the author for several years in graduate courses at two of the most prestigious French universities. The fact that proofs are given with full details makes the book particularly suitable for self-study. The numerous exercises help the reader to get acquainted with the tools of stochastic calculus.

The book presents a compilation of studies regarding applied geomechanics, mining, and excavation analysis and simulation. The material is suitable for presentation to senior undergraduate and post-graduate students in both mining and geological engineering. It should also be of interest to students of other aspects of Geomechanics and, notably, engineering geologists interested in mining and underground excavation design. Practising mining engineers and rock mechanics engineers involved in mine design may use the book profitably to obtain an appreciation of the current state of engineering knowledge in their area of specialisation. Papers were selected from the 5th GeoChina International Conference on Civil Infrastructures Confronting Severe Weathers and Climate Changes: From Failure to Sustainability, held in July 23-25, 2018 in Hang Zhou, China.

This book focuses on computational modeling and simulation research that advances the current state-of-the-art regarding human factors in this area. It reports on cutting-edge simulators such as virtual and augmented reality, on multisensory environments, and on modeling and simulation methods used in various applications, including surgery, military operations, occupational safety, sports training, education, transportation and robotics. Based on the AHFE 2018 International Conference on Human Factors in Simulation and Modeling, held on July 21-25, 2018, in Orlando, Florida, USA, the book serves as a timely reference guide for researchers and practitioners developing new modeling and simulation tools for analyzing or improving human performance. It also offers a unique resource for modelers seeking insights into human factors research and more feasible and reliable computational tools to foster advances in this exciting research field.

This book consists of papers presented at Automation 2017, an international conference held in Warsaw from March 15 to 17, 2017. It discusses research findings associated with the concepts behind INDUSTRY 4.0, with a focus on offering a better understanding of and promoting participation in the Fourth Industrial Revolution. Each chapter presents a detailed analysis of a specific technical problem, in most cases followed by a numerical analysis, simulation and description of the results of implementing the solution in a real-world context. The theoretical results, practical solutions and guidelines presented are valuable for both researchers working in the area of engineering sciences and practitioners looking for solutions to industrial problems.

The two volume proceedings of CCIS 698 and 699 constitutes revised selected papers from the 4th International Conference on Geo-Informatics in Resource Management and Sustainable Ecosystem, GRMSE 2016, held in Hong Kong, China, in November 2016. The total of 118 papers presented in these proceedings were carefully reviewed and selected from 311 submissions. The contributions were organized in topical sections named: smart city in resource management and sustainable ecosystem; spatial data acquisition through RS and GIS in resource management and sustainable ecosystem; ecological and environmental data processing and management; advanced geospatial model and analysis for understanding ecological and environmental processes; applications of geo-informatics in resource management and sustainable ecosystem.

The two volume proceedings of CCIS 698 and 699 constitutes revised selected papers from the 4th International Conference on Geo-Informatics in Resource Management and Sustainable Ecosystem, GRMSE 2016, held in Hong Kong, China, in November 2016. The total of 118 papers presented in these proceedings were carefully reviewed and selected from 311 submissions. The contributions were organized in topical sections named: smart city in resource management and sustainable ecosystem; spatial data acquisition through RS and GIS in resource management and sustainable ecosystem; ecological and environmental data processing and management; advanced geospatial model and analysis for understanding ecological and environmental processes; applications of geo-informatics in resource management and sustainable ecosystem.

Due to the large number of influencing parameters and interactions, the fuel injection and therewith fuel propagation and distribution are among the most complex processes in an internal combustion engine. For this reason, injection is usually the subject to highly detailed numerical modeling, which leads to unacceptably high computing times in the 3D-CFD simulation of a full engine domain. Marlene Wentsch presents a critical analysis, optimization and extension of injection modeling in an innovative, fast response 3D-CFD tool that is exclusively dedicated to the virtual development of internal combustion engines. About the Author Marlene Wentsch works as research associate in the field of 3D-CFD simulations of injection processes at the Institute of Internal Combustion Engines and Automotive Engineering (IVK), University of Stuttgart, Germany.

This textbook aims to fill the gap between those that offer a theoretical treatment without many applications and those that present and apply formulas without appropriately deriving them. The balance achieved will give readers a fundamental understanding of key financial ideas and tools that form the basis for building realistic models, including those that may become proprietary. Numerous carefully chosen examples and exercises reinforce the student's conceptual understanding and facility with applications. The exercises are divided into conceptual, application-based, and theoretical problems, which probe the material deeper. The book is aimed toward advanced undergraduates and first-year graduate students who are new to finance or want a more rigorous treatment of the mathematical models used within. While no background in finance is assumed, prerequisite math courses include multivariable calculus, probability, and linear algebra. The authors introduce additional mathematical tools as needed. The entire textbook is appropriate for a single year-long course on introductory mathematical finance. The self-contained design of the text allows for instructor flexibility in topics courses and those focusing on financial derivatives. Moreover, the text is useful for mathematicians, physicists, and engineers who want to learn finance via an approach that builds their financial intuition and is explicit about model building, as well as business school students who want a treatment of finance that is deeper but not overly theoretical.

The two-volume set, CCIS 681 and CCIS 682, constitutes the proceedings of the 11th International Conference on Bio-Inspired Computing: Theories and Applications, BIC-TA 2016, held in Xi'an, China, in October 2016.The 115 revised full papers presented were carefully reviewed and selected from 343 submissions. The papers of Part I are organized in topical sections on DNA Computing; Membrane Computing; Neural Computing; Machine Learning. The papers of Part II are organized in topical sections on Evolutionary Computing; Multi-objective Optimization; Pattern Recognition; Others.

Accessible VBA coding for complex financial modelling How to Implement Market Models Using VBA makes solving complex valuation issues accessible to any financial professional with a taste for mathematics. With a focus on the clarity of code, this practical introductory guide includes chapters on VBA fundamentals and essential mathematical techniques, helping readers master the numerical methods to build an algorithm that can be used in a wide range of pricing problems. Coverage includes general algorithms, vanilla instruments, multi-asset instruments, yield curve models, interest rate exotics, and more, guiding readers thoroughly through pricing in the capital markets area. The companion website (http://implementmodinvba.com/) features additional VBA code and algorithmic techniques, and the interactive blog provides a forum for discussion of code with programmers and financial engineers, giving readers insight into the different applications and customisations possible for even more advanced problem solving. Financial engineers implement models from a mathematical representation of an asset's performance by building a program that performs a valuation of securities based on this asset. How to Implement Market Models Using VBA makes this technical process understandable, with well-explained algorithms, VBA code, and accessible theoretical explanations. * Decide which numerical method to use in which scenario * Identify the necessary building blocks of an algorithm * Write clear, functional VBA code for a variety of problems * Apply algorithms to different instruments and models Designed for finance professionals, this book brings more accurate modelling within reach for anyone with interest in the market. For clearer code, patient explanation, and practical instruction, How to Implement Market Models Using VBA is an essential introductory guide.

This book constitutes the refereed proceedings of the 6th International Symposium on Leveraging Applications of Formal Methods, Verification, and Validation, ISoLA 2014, held in Corfu, Greece, in October 2014, and the 5th International Symposium, ISoLA 2012, held in Heraklion, Crete, Greece, in October 2012. The 9 revised full papers presented were carefully reviewed and selected from 22 submissions. This volume combines the post-conference proceedings of the 2014 Doctoral Symposium and the 2014 Tutorial "Automata Learning in Practice" with the post-conference publication of selected contributions from the Tracks "Process-Oriented Geoinformation Systems and Applications" and "Processes and Data Integration in the Networked Healthcare" of ISoLA 2012.

The two-volume set LNCS 10671 and 10672 constitutes the thoroughly refereed proceedings of the 16th International Conference on Computer Aided Systems Theory, EUROCAST 2017, held in Las Palmas de Gran Canaria, Spain, in February 2017. The 117 full papers presented were carefully reviewed and selected from 160 submissions. The papers are organized in topical sections on: pioneers and landmarks in the development of information and communication technologies; systems theory, socio-economic systems and applications; theory and applications of metaheuristic algorithms; stochastic models and applications to natural, social and technical systems; model-based system design, verification and simulation; applications of signal processing technology; algebraic and combinatorial methods in signal and pattern analysis; computer vision, deep learning and applications; computer and systems based methods and electronics technologies in medicine; intelligent transportation systems and smart mobility.

The second part of a yearly series on simulation technology, OBJECT-ORIENTED SIMULATION presents an outstanding variety of the very latest advances in simulation techniques. This leading-edge volume contains a cohesive selection of presentations written by the world-renowned experts in a broad range of topics. OBJECT-ORIENTED SIMULATION is a key resource for anyone involved in computer simulator research and design as well as developers, producers, scholars, and managers. It is an excellent tool for preparing proposals for simulation in commercial and military fields.