In recent years, it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide on how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complex topics such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a disordered model. The book contains a CD-ROM with all files needed to recreate every example given using the program DISCUS. The reader is free to follow the principles behind simulating disordered materials or to get down into the details and run or modify the given examples.

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave. Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.

From climate change forecasts and pandemic maps to Lego sets and Ancestry algorithms, models encompass our world and our lives. In her thought-provoking new book, Annabel Wharton begins with a definition drawn from the quantitative sciences and the philosophy of science but holds that history and critical cultural theory are essential to a fuller understanding of modeling. Considering changes in the medical body model and the architectural model, from the Middle Ages to the twenty-first century, Wharton demonstrates the ways in which all models are historical and political. Examining how cadavers have been described, exhibited, and visually rendered, she highlights the historical dimension of the modified body and its depictions. Analyzing the varied reworkings of the Holy Sepulchre in Jerusalem-including by monumental commanderies of the Knights Templar, Alberti's Rucellai Tomb in Florence, Franciscans' olive wood replicas, and video game renderings-she foregrounds the political force of architectural representations. And considering black boxes-instruments whose inputs we control and whose outputs we interpret, but whose inner workings are beyond our comprehension-she surveys the threats posed by such opaque computational models, warning of the dangers that models pose when humans lose control of the means by which they are generated and understood. Engaging and wide-ranging, Models and World Making conjures new ways of seeing and critically evaluating how we make and remake the world in which we live.

Communication based on the internet of things (IoT) generates huge amounts of data from sensors over time, which opens a wide range of applications and areas for researchers. The application of analytics, machine learning, and deep learning techniques over such a large volume of data is a very challenging task. Therefore, it is essential to find patterns, retrieve novel insights, and predict future behavior using this large amount of sensory data. Artificial intelligence (AI) has an important role in facilitating analytics and learning in the IoT devices. Applying AI-Based IoT Systems to Simulation-Based Information Retrieval provides relevant frameworks and the latest empirical research findings in the area. It is ideal for professionals who wish to improve their understanding of the strategic role of trust at different levels of the information and knowledge society and trust at the levels of the global economy, networks and organizations, teams and work groups, information systems, and individuals as actors in the networked environments. Covering topics such as blockchain visualization, computer-aided drug discovery, and health monitoring, this premier reference source is an excellent resource for business leaders and executives, IT managers, security professionals, data scientists, students and faculty of higher education, librarians, hospital administrators, researchers, and academicians.

Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.

The success of any organization is largely dependent on positive feedback and repeat business from patrons. By utilizing acquired marketing data, business professionals can more accurately assess practices, services, and products that their customers find appealing. The Handbook of Research on Intelligent Techniques and Modeling Applications in Marketing Analytics features innovative research and implementation practices of analytics in marketing research. Highlighting various techniques in acquiring and deciphering marketing data, this publication is a pivotal reference for professionals, managers, market researchers, and practitioners interested in the observation and utilization of data on marketing trends to promote positive business practices.

Creativity has been integral to the development of the modern State, and yet it is becoming increasingly sidelined, especially as a result of the development of new machinic technologies including 3D printing. Arguing that inner creativity has been endangered by the rise of administrative regulation, James Griffin explores a number of reforms to ensure that upcoming regulations do take creativity into account. The State of Creativity examines how the State has become distanced from individual processes of creativity. This book investigates how the failure to incorporate creativity into administrative regulation is, in fact, adversely impacting the regulation of new technologies such as 3D and 4D printing and augmented reality, by focusing on issues concerning copyright and patents. This is an important read for intellectual property law scholars, as well as those studying computer science who wish to gain a more in-depth understanding of the current laws surrounding digital technologies such as 3D printing in our modern world. Legal practitioners wanting to remain abreast of developments surrounding 3D printing will also benefit from this book.

The development of new and effective analytical and numerical models is essential to understanding the performance of a variety of structures. As computational methods continue to advance, so too do their applications in structural performance modeling and analysis. Modeling and Simulation Techniques in Structural Engineering presents emerging research on computational techniques and applications within the field of structural engineering. This timely publication features practical applications as well as new research insights and is ideally designed for use by engineers, IT professionals, researchers, and graduate-level students.