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Data analytics has become an integral part of materials science. This book provides the practical tools and fundamentals needed for researchers in materials science to understand how to analyze large datasets using statistical methods, especially inverse methods applied to microstructure characterization. It contains valuable guidance on essential topics such as denoising and data modeling. Additionally, the analysis and applications section addresses compressed sensing methods, stochastic models, extreme estimation, and approaches to pattern detection.
The second edition of this well-received handbook is the most concise yet comprehensive compilation of materials data. The chapters provide succinct descriptions and summarize essential and reliable data for various types of materials. The information is amply illustrated with 900 tables and 1050 figures selected primarily from well-established data collections, such as Landolt-Börnstein, which is now part of the SpringerMaterials database. The new edition of the Springer Handbook of Materials Data starts by presenting the latest CODATA recommended values of the fundamental physical constants and provides comprehensive tables of the physical and physicochemical properties of the elements. 25 chapters collect and summarize the most frequently used data and relationships for numerous metals, nonmetallic materials, functional materials and selected special structures such as liquid crystals and nanostructured materials. Along with careful updates to the content and the inclusion of timely and extensive references, this second edition includes new chapters on polymers, materials for solid catalysts and low-dimensional semiconductors. This handbook is an authoritative reference resource for engineers, scientists and students engaged in the vast field of materials science.
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.
A textbook covering data-science and machine learning methods for modelling and control in engineering and science, with Python and MATLAB®.
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 "
Making use of data is not anymore a niche project but central to almost every project. With access to massive compute resources and vast amounts of data, it seems at least in principle possible to solve any problem. However, successful data science projects result from the intelligent application of: human intuition in combination with computational power; sound background knowledge with computer-aided modelling; and critical reflection of the obtained insights and results. Substantially updating the previous edition, then entitled Guide to Intelligent Data Analysis, this core textbook continues to provide a hands-on instructional approach to many data science techniques, and explains how these are used to solve real world problems. The work balances the practical aspects of applying and using data science techniques with the theoretical and algorithmic underpinnings from mathematics and statistics. Major updates on techniques and subject coverage (including deep learning) are included. Topics and features: guides the reader through the process of data science, following the interdependent steps of project understanding, data understanding, data blending and transformation, modeling, as well as deployment and monitoring; includes numerous examples using the open source KNIME Analytics Platform, together with an introductory appendix; provides a review of the basics of classical statistics that support and justify many data analysis methods, and a glossary of statistical terms; integrates illustrations and case-study-style examples to support pedagogical exposition; supplies further tools and information at an associated website. This practical and systematic textbook/reference is a “need-to-have” tool for graduate and advanced undergraduate students and essential reading for all professionals who face data science problems. Moreover, it is a “need to use, need to keep” resource following one's exploration of the subject.
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
An Introduction to Data Science is an easy-to-read data science textbook for those with no prior coding knowledge. It features exercises at the end of each chapter, author-generated tables and visualizations, and R code examples throughout.