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Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodological Aspects of Materials Informatics and Practical Aspects and Applications. The first part focuses on developments in software, databases, and high-throughput computational activities. Chapter topics include open quantum materials databases; the ICSD database; open crystallography databases; and more. The second addresses the latest developments in data mining and machine learning for materials science. Its chapters cover genetic algorithms and crystal structure prediction; MQSPR modeling in materials informatics; prediction of materials properties; amongst others. -Bridges the gap between materials science and informatics -Covers all the known methodologies and applications of materials informatics -Presents case studies that illustrate the power of materials informatics in guiding the experimental quest for new materials -Examines the state-of-the-art software and tools being used today Materials Informatics: Methods, Tools and Applications is a must-have resource for materials scientists, chemists, and engineers interested in the methods of materials informatics.
Materials informatics: a hot topic area in materials science, aims to combine traditionally bio-led informatics with computational methodologies, supporting more efficient research by identifying strategies for time- and cost-effective analysis. The discovery and maturation of new materials has been outpaced by the thicket of data created by new combinatorial and high throughput analytical techniques. The elaboration of this "quantitative avalanche" and the resulting complex, multi-factor analyses required to understand it means that interest, investment, and research are revisiting informatics approaches as a solution. This work, from Krishna Rajan, the leading expert of the informatics approach to materials, seeks to break down the barriers between data management, quality standards, data mining, exchange, and storage and analysis, as a means of accelerating scientific research in materials science. This solutions-based reference synthesizes foundational physical, statistical, and mathematical content with emerging experimental and real-world applications, for interdisciplinary researchers and those new to the field. Identifies and analyzes interdisciplinary strategies (including combinatorial and high throughput approaches) that accelerate materials development cycle times and reduces associated costs Mathematical and computational analysis aids formulation of new structure-property correlations among large, heterogeneous, and distributed data sets Practical examples, computational tools, and software analysis benefits rapid identification of critical data and analysis of theoretical needs for future problems "
This class-tested textbook is designed for a semester-long graduate or senior undergraduate course on Computational Health Informatics. The focus of the book is on computational techniques that are widely used in health data analysis and health informatics and it integrates computer science and clinical perspectives. This book prepares computer science students for careers in computational health informatics and medical data analysis. Features Integrates computer science and clinical perspectives Describes various statistical and artificial intelligence techniques, including machine learning techniques such as clustering of temporal data, regression analysis, neural networks, HMM, decision trees, SVM, and data mining, all of which are techniques used widely used in health-data analysis Describes computational techniques such as multidimensional and multimedia data representation and retrieval, ontology, patient-data deidentification, temporal data analysis, heterogeneous databases, medical image analysis and transmission, biosignal analysis, pervasive healthcare, automated text-analysis, health-vocabulary knowledgebases and medical information-exchange Includes bioinformatics and pharmacokinetics techniques and their applications to vaccine and drug development
Machine learning methods have lowered the cost of exploring new structures of unknown compounds, and can be used to predict reasonable expectations and subsequently validated by experimental results. As new insights and several elaborative tools have been developed for materials science and engineering in recent years, it is an appropriate time to present a book covering recent progress in this field. Searchable and interactive databases can promote research on emerging materials. Recently, databases containing a large number of high-quality materials properties for new advanced materials discovery have been developed. These approaches are set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic in the coming years. This authoritative and comprehensive book will be of interest to both existing researchers in this field as well as others in the materials science community who wish to take advantage of these powerful techniques. The book offers a global spread of authors, from USA, Canada, UK, Japan, France, Russia, China and Singapore, who are all world recognized experts in their separate areas. With content relevant to both academic and commercial points of view, and offering an accessible overview of recent progress and potential future directions, the book will interest graduate students, postgraduate researchers, and consultants and industrial engineers.
The design and study of materials is a pivotal component to new discoveries in the various fields of science and technology. By better understanding the components and structures of materials, researchers can increase its applications across different industries. Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications is a compendium of the latest academic material on investigations, technologies, and techniques pertaining to analyzing the synthesis and design of new materials. Through its broad and extensive coverage on a variety of crucial topics, such as nanomaterials, biomaterials, and relevant computational methods, this multi-volume work is an essential reference source for engineers, academics, researchers, students, professionals, and practitioners seeking innovative perspectives in the field of materials science and engineering.
Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.
State-of-the-art, flat structures called metasurfaces can filter and steer light and sound, render an object completely invisible to electromagnetic waves, and much more. They can deliver automation, remote operation, and advanced performance to a wide variety of existing systems, with applications in communications, medical imaging, sensing, and security. However, for non-specialists, individual metasurfaces are currently restricted to limited reusability and accessibility. This book brings together various scientific disciplines with the aim of outlining a programmable ‘plug-and-play’ metasurface. The book focuses on a recently proposed platform – known as the HyperSurface – that provides many electromagnetic functions of metasurfaces in a single structure, which can be controlled and reconfigured by software. This revolutionary approach paves the way for new opportunities in wireless communications and programmable wireless environments: HyperSurfaces could link networks with objects and physical environments and create smarter systems that are far more responsive to user demands. Walls that absorb radiation or block digital eavesdropping, and wireless, long-distance charging of devices are among the many possibilities. The book aspires to provide the foundational knowledge for creating an Internet of Materials, enabling smart environments at any scale – from indoor wireless communications to medical imaging equipment. Although the set of disciplines involved covers a considerable span, we hope that the material will benefit experts and students alike.
Foreword. A transformed scientific method. Earth and environment. Health and wellbeing. Scientific infrastructure. Scholarly communication.
This book is designed to introduce students to programming and computational thinking through the lens of exploring data. You can think of Python as your tool to solve problems that are far beyond the capability of a spreadsheet. It is an easy-to-use and easy-to learn programming language that is freely available on Windows, Macintosh, and Linux computers. There are free downloadable copies of this book in various electronic formats and a self-paced free online course where you can explore the course materials. All the supporting materials for the book are available under open and remixable licenses at the www.py4inf.com web site. This book is designed to teach people to program even if they have no prior experience. This book covers Python 2. An updated version of this book that covers Python 3 is available and is titled, "Python for Everybody: Exploring Data in Python 3".