This volume introduces a series of different data-driven computational methods for analyzing group processes through didactic and tutorial-based examples. Group processes are of central importance to many sectors of society, including government, the military, health care, and corporations. Computational methods are better suited to handle (potentially huge) group process data than traditional methodologies because of their more flexible assumptions and capability to handle real-time trace data. Indeed, the use of methods under the name of computational social science have exploded over the years. However, attention has been focused on original research rather than pedagogy, leaving those interested in obtaining computational skills lacking a much needed resource. Although the methods here can be applied to wider areas of social science, they are specifically tailored to group process research. A number of data-driven methods adapted to group process research are demonstrated in this current volume. These include text mining, relational event modeling, social simulation, machine learning, social sequence analysis, and response surface analysis. In order to take advantage of these new opportunities, this book provides clear examples (e.g., providing code) of group processes in various contexts, setting guidelines and best practices for future work to build upon. This volume will be of great benefit to those willing to learn computational methods. These include academics like graduate students and faculty, multidisciplinary professionals and researchers working on organization and management science, and consultants for various types of organizations and groups.

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 book introduces readers to MesoBioNano (MBN) Explorer - a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface - the MBN Studio - which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science - ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system's energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer's usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).

This book disseminates the current trends among innovative and high-quality research regarding the implementation of conceptual frameworks, strategies, techniques, methodologies, informatics platforms and models for developing advanced industrial tools and techniques and their application in different fields. It presents a collection of theoretical, real-world and original research works in the field of applied industrial tools and techniques. The text goes beyond the state-of-the-art in the field of industrial and software engineering, listing successful applications and use cases of studies of new approaches, applications, methods, techniques for developing advanced industrial tools, methodologies and techniques and their application in different fields. The topics covered in this book are of interest to academics, researchers, students, stakeholders and consultants.

The International Meshing Roundtable (IMR) brings together researchers, developers, and application experts in a variety of disciplines, from all over the world, to present and discuss ideas on mesh generation and related topics. The technical papers in this volume present theoretical and novel ideas and algorithms with practical potential, as well as technical applications in science and engineering, geometric modelling, computer graphics, and visualization.

This book contains original research chapters related to the interdisciplinary field of complex networks spanning biological and environmental networks, social, technological, and economic networks. Many natural phenomena can be modeled as networks where nodes are the primitive compounds and links represent their interactions, similarities, or distances of sorts. Complex networks have an enormous impact on research in various fields like biology, social sciences, engineering, and cyber-security to name a few. The topology of a network often encompasses important information on the functionality and dynamics of the system or the phenomenon it represents. Network science is an emerging interdisciplinary discipline that provides tools and insights to researchers in a variety of domains. NetSci-X is the central winter conference within the field and brings together leading researchers and innovators to connect, meet, and establish interdisciplinary channels for collaboration. It is the largest and best known event in the area of network science. This text demonstrates how ideas formulated by authors with different backgrounds are transformed into models, methods, and algorithms that are used to study complex systems across different domains and will appeal to researchers and students within in the field.

This book presents a collection of results from the interdisciplinary research project "ELLI" published by researchers at RWTH Aachen University, the TU Dortmund and Ruhr-Universitat Bochum between 2011 and 2016. All contributions showcase essential research results, concepts and innovative teaching methods to improve engineering education. Further, they focus on a variety of areas, including virtual and remote teaching and learning environments, student mobility, support throughout the student lifecycle, and the cultivation of interdisciplinary skills.

This book is open access under a CC BY 4.0 license. This book summarizes work being pursued in the context of the CIPRNet (Critical Infrastructure Preparedness and Resilience Research Network) research project, co-funded by the European Union under the Seventh Framework Programme (FP7). The project is intended to provide concrete and on-going support to the Critical Infrastructure Protection (CIP) research communities, enhancing their preparedness for CI-related emergencies, while also providing expertise and technologies for other stakeholders to promote their understanding and mitigation of the consequences of CI disruptions, leading to enhanced resilience. The book collects the tutorial material developed by the authors for several courses on the modelling, simulation and analysis of CIs, representing extensive and integrated CIP expertise. It will help CI stakeholders, CI operators and civil protection authorities understand the complex system of CIs, and help them adapt to these changes and threats in order to be as prepared as possible for mitigating emergencies and crises affecting or arising from CIs.

This book is a comprehensive guide to several aspects of risk, including information systems, disaster management, supply chain and disaster management perspectives. A major portion of this book is devoted to presenting a number of operations research models that have been (or could be) applied to enterprise supply risk management, especially from the supply chain perspective. Each chapter of this book can be used as a unique module on a different topics with dedicated examples, definitions and discussion notes. This book comes at a time when the world is increasingly challenged by different forms of risk and how to manage them. Events of the 21st Century have made enterprise risk management even more critical. Risks such as suspicions surrounding top-management structures, financial and technology bubbles (especially since 2008), as well as the demonstrated risk from terrorism, such as the 9/11 attack in the U.S. as well as more recent events in France, Belgium, and other locations in Europe, have a tremendous impact on many facets of business. Businesses, in fact, exist to cope with risk in their area of specialization.

Based on more than 12 years of systematic investigation on earthquake disaster simulation of civil infrastructures, this book covers the major research outcomes including a number of novel computational models, high performance computing methods and realistic visualization techniques for tall buildings and urban areas, with particular emphasize on collapse prevention and mitigation in extreme earthquakes, earthquake loss evaluation and seismic resilience. Typical engineering applications to several tallest buildings in the world (e.g., the 632 m tall Shanghai Tower and the 528 m tall Z15 Tower) and selected large cities in China (the Beijing Central Business District, Xi'an City, Taiyuan City and Tangshan City) are also introduced to demonstrate the advantages of the proposed computational models and techniques. The high-fidelity computational model developed in this book has proven to be the only feasible option to date for earthquake-induced collapse simulation of supertall buildings that are higher than 500 m. More importantly, the proposed collapse simulation technique has already been successfully used in the design of some real-world supertall buildings, with significant savings of tens of thousands of tons of concrete and steel, whilst achieving a better seismic performance and safety. The proposed novel solution for earthquake disaster simulation of urban areas using nonlinear multiple degree-of-freedom (MDOF) model and time-history analysis delivers several unique advantages: (1) true representation of the characteristic features of individual buildings and ground motions; (2) realistic visualization of earthquake scenarios, particularly dynamic shaking of buildings during earthquakes; (3) detailed prediction of seismic response and losses on each story of every building at any time period. The proposed earthquake disaster simulation technique has been successfully implemented in the seismic performance assessments and earthquake loss predictions of several central cities in China. The outcomes of the simulation as well as the feedback from the end users are encouraging, particularly for the government officials and/or administration department personnel with limited professional knowledge of earthquake engineering. The book offers readers a systematic solution to earthquake disaster simulation of civil infrastructures. The application outcomes demonstrate a promising future of the proposed advanced techniques. The book provides a long-awaited guide for academics and graduate students involving in earthquake engineering research and teaching activities. It can also be used by structural engineers for seismic design of supertall buildings.

This book presents a multi-disciplinary investigation into extortion rackets with a particular focus on the structures of criminal organisations and their collapse, societal processes in which extortion rackets strive and fail and the impacts of bottom-up and top-down ways of fighting extortion racketeering. Through integrating a range of disciplines and methods the book provides an extensive case study of empirically based computational social science. It is based on a wealth of qualitative data regarding multiple extortion rackets, such as the Sicilian Mafia, an international money laundering organisation and a predatory extortion case in Germany. Computational methods are used for data analysis, to help in operationalising data for use in agent-based models and to explore structures and dynamics of extortion racketeering through simulations. In addition to textual data sources, stakeholders and experts are extensively involved, providing narratives for analysis and qualitative validation of models. The book presents a systematic application of computational social science methods to the substantive area of extortion racketeering. The reader will gain a deep understanding of extortion rackets, in particular their entrenchment in society and processes supporting and undermining extortion rackets. Also covered are computational social science methods, in particular computationally assisted text analysis and agent-based modelling, and the integration of empirical, theoretical and computational social science.

This book presents the latest research in computational methods for modeling and simulating brain disorders. In particular, it shows how mathematical models can be used to study the relationship between a given disorder and the specific brain structure associated with that disorder. It also describes the emerging field of computational psychiatry, including the study of pathological behavior due to impaired functional connectivity, pathophysiological activity, and/or aberrant decision-making. Further, it discusses the data analysis techniques that will be required to analyze the increasing amount of data being generated about the brain. Lastly, the book offers some tips on the application of computational models in the field of quantitative systems pharmacology. Mainly written for computational scientists eager to discover new application fields for their model, this book also benefits neurologists and psychiatrists wanting to learn about new methods.

There have been substantial developments in meshfree methods, particle methods, and generalized finite element methods since the mid 1990s. The growing interest in these methods is in part due to the fact that they offer extremely flexible numerical tools and can be interpreted in a number of ways. For instance, meshfree methods can be viewed as a natural extension of classical finite element and finite difference methods to scattered node configurations with no fixed connectivity. Furthermore, meshfree methods have a number of advantageous features that are especially attractive when dealing with multiscale phenomena: A-priori knowledge about the solution's particular local behavior can easily be introduced into the meshfree approximation space, and coarse scale approximations can be seamlessly refined by adding fine scale information. However, the implementation of meshfree methods and their parallelization also requires special attention, for instance with respect to numerical integration.

This book presents the latest in decision-making tools, techniques, and solutions for policy makers to utilize in overcoming the challenges faced by healthcare systems. With contributions from experts world-wide, an array of healthcare management models, techniques, and integrative solutions are presented, drawing on econometric, system dynamics, and agent-based models as well as state-of-the-art empirical studies. As total healthcare spending (both total expenditures on health as a percentage of GDP and average spending on per capita) increases across most of the world's economies, healthcare systems continue to face challenges in terms of cost, quality, and access, as a result of its fragmented nature. Consequently, healthcare managers and policy makers require innovative integrative approaches and solutions to better manage complex, dynamic healthcare systems. This volume offers researchers and policy makers an insightful and critical review of the state of the art in healthcare modeling, with a particular focus on system dynamics, agent-based models, and modern empirical studies. It will be of interest to those in the fields of health, business management, and information systems.

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.

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 constitutes the refereed proceedings of the 22nd International Symposium on Formal Methods, FM 2018, held in Oxford, UK, in July 2018. The 44 full papers presented together with 2 invited papers were carefully reviewed and selected from 110 submissions. They present formal methods for developing and evaluating systems. Examples include autonomous systems, robots, and cyber-physical systems in general. The papers cover a broad range of topics in the following areas: interdisciplinary formal methods; formal methods in practice; tools for formal methods; role of formal methods in software systems engineering; and theoretical foundations.

This book covers dynamic simulation of deformable objects, which is one of the most challenging tasks in computer graphics and visualization. It focuses on the simulation of deformable models with anisotropic materials, one of the less common approaches in the existing research. Both physically-based and geometrically-based approaches are examined. The authors start with transversely isotropic materials for the simulation of deformable objects with fibrous structures. Next, they introduce a fiber-field incorporated corotational finite element model (CLFEM) that works directly with a constitutive model of transversely isotropic material. A smooth fiber-field is used to establish the local frames for each element. To introduce deformation simulation for orthotropic materials, an orthotropic deformation controlling frame-field is conceptualized and a frame construction tool is developed for users to define the desired material properties. The orthotropic frame-field is coupled with the CLFEM model to complete an orthotropic deformable model. Finally, the authors present an integrated real-time system for animation of skeletal characters with anisotropic tissues. To solve the problems of volume distortion and high computational costs, a strain-based PBD framework for skeletal animation is explained; natural secondary motion of soft tissues is another benefit. The book is written for those researchers who would like to develop their own algorithms. The key mathematical and computational concepts are presented together with illustrations and working examples. It can also be used as a reference book for graduate students and senior undergraduates in the areas of computer graphics, computer animation, and virtual reality. Academics, researchers, and professionals will find this to be an exceptional resource.

The book presents the state of the art in high-performance computing and simulation on modern supercomputer architectures. It explores general trends in hardware and software development, and then focuses specifically on the future of high-performance systems and heterogeneous architectures. It also covers applications such as computational fluid dynamics, material science, medical applications and climate research and discusses innovative fields like coupled multi-physics or multi-scale simulations. The papers included were selected from the presentations given at the 20th Workshop on Sustained Simulation Performance at the HLRS, University of Stuttgart, Germany in December 2015, and the subsequent Workshop on Sustained Simulation Performance at Tohoku University in February 2016.

This book constitutes the refereed proceedings of the 14th International Conference on Integrated Formal Methods, IFM 2018, held in Maynooth, Ireland, in September 2018. The 17 full papers and 5 short papers presented together with 3 invited talks were carefully reviewed and selected from 60 submissions. The conference covers a broad spectrum of topics: from language design, to verification and analysis techniques, to supporting tools and their integration into software engineering practice.

This classroom-texted textbook/reference presents a set of useful modeling techniques, describing how these can be combined into a powerful framework for the analysis and design of business systems. These techniques follow an interactive modeling and simulation (IMS) approach, enabling the modeling and simulation of separate parts of the system at different levels of abstraction, and the composition of these parts in a flexible crosscutting manner that preserves the behavior of the individual parts. Topics and features: presents a detailed introduction to the foundations of IMS for business system design, covering protocol modeling and goal modeling semantics; describes the practical application of IMS for business system design, illustrated by a selection of useful case studies; highlights the advantages of this approach to IMS for business system design, with a focus on performance management, motivation modeling, and communication; includes review questions and exercises at the end of each chapter.

This book introduces the reader to a new method of data assimilation with deterministic constraints (exact satisfaction of dynamic constraints)-an optimal assimilation strategy called Forecast Sensitivity Method (FSM), as an alternative to the well-known four-dimensional variational (4D-Var) data assimilation method. 4D-Var works with a forward in time prediction model and a backward in time tangent linear model (TLM). The equivalence of data assimilation via 4D-Var and FSM is proven and problems using low-order dynamics clarify the process of data assimilation by the two methods. The problem of return flow over the Gulf of Mexico that includes upper-air observations and realistic dynamical constraints gives the reader a good idea of how the FSM can be implemented in a real-world situation.

This book is a practical, step-by-step introduction to microsimulation in demography. It shows how to use Modgen, a powerful and free microsimulation platform built by Statistics Canada. The authors' hands-on explanation of model development will help readers make their own. The book teaches how to create and run a simple cohort model with a single fixed-rate event, and builds upon this concept. It introduces how to develop both a single state life table as well as a multiple increment-decrement life table using the tools provided by Modgen. The authors illustrate how to easily upgrade an existing model by adding new modules and new dimensions as determinants of a risk already modeled. The integration of a fertility module and a base population allows the user to bring new actors into the simulation and transform a cohort-based model into a population-based one. The final addition of an international migration module allows the user to accomplish fully open, multi-regional projections. This accessible introduction will be of interest to researchers and students in population studies and other social sciences. It will also appeal to anyone interested in the computational modeling of population dynamics.

This volume offers a valuable starting point for anyone interested in learning computational diffusion MRI and mathematical methods for brain connectivity, while also sharing new perspectives and insights on the latest research challenges for those currently working in the field. Over the last decade, interest in diffusion MRI has virtually exploded. The technique provides unique insights into the microstructure of living tissue and enables in-vivo connectivity mapping of the brain. Computational techniques are key to the continued success and development of diffusion MRI and to its widespread transfer into the clinic, while new processing methods are essential to addressing issues at each stage of the diffusion MRI pipeline: acquisition, reconstruction, modeling and model fitting, image processing, fiber tracking, connectivity mapping, visualization, group studies and inference. These papers from the 2016 MICCAI Workshop "Computational Diffusion MRI" - which was intended to provide a snapshot of the latest developments within the highly active and growing field of diffusion MR - cover a wide range of topics, from fundamental theoretical work on mathematical modeling, to the development and evaluation of robust algorithms and applications in neuroscientific studies and clinical practice. The contributions include rigorous mathematical derivations, a wealth of rich, full-color visualizations, and biologically or clinically relevant results. As such, they will be of interest to researchers and practitioners in the fields of computer science, MR physics, and applied mathematics.

This book focuses on new and emerging data mining solutions that offer a greater level of transparency than existing solutions. Transparent data mining solutions with desirable properties (e.g. effective, fully automatic, scalable) are covered in the book. Experimental findings of transparent solutions are tailored to different domain experts, and experimental metrics for evaluating algorithmic transparency are presented. The book also discusses societal effects of black box vs. transparent approaches to data mining, as well as real-world use cases for these approaches.As algorithms increasingly support different aspects of modern life, a greater level of transparency is sorely needed, not least because discrimination and biases have to be avoided. With contributions from domain experts, this book provides an overview of an emerging area of data mining that has profound societal consequences, and provides the technical background to for readers to contribute to the field or to put existing approaches to practical use.