Download or read book Data Based Methods for Materials Design and Discovery written by Ghanshyam Pilania and published by Springer Nature. This book was released on 2022-05-31 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning methods are changing the way we design and discover new materials. This book provides an overview of approaches successfully used in addressing materials problems (alloys, ferroelectrics, dielectrics) with a focus on probabilistic methods, such as Gaussian processes, to accurately estimate density functions. The authors, who have extensive experience in this interdisciplinary field, discuss generalizations where more than one competing material property is involved or data with differing degrees of precision/costs or fidelity/expense needs to be considered.
Download or read book Materials Discovery and Design written by Turab Lookman and published by Springer. This book was released on 2018-09-22 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.
Download or read book Information Science for Materials Discovery and Design written by Turab Lookman and published by Springer. This book was released on 2015-12-12 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.
Download or read book Informatics for Materials Science and Engineering Data Driven Discovery for Accelerated Experimentation and Application written by Krishna Rajan and published by Butterworth-Heinemann. This book was released on 2017-11-13 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 "
Download or read book Nanoinformatics written by Isao Tanaka and published by Springer. This book was released on 2018-01-15 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which “big-data” generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.
Download or read book Artificial Intelligence for Materials Science written by Yuan Cheng and published by Springer Nature. This book was released on 2021-03-26 with total page 231 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Handbook of Materials Modeling written by Sidney Yip and published by Springer Science & Business Media. This book was released on 2007-11-17 with total page 2903 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Computational Materials Discovery written by Artem Oganov and published by Royal Society of Chemistry. This book was released on 2018-10-30 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
Download or read book Materials Informatics written by Krishna Rajan and published by Wiley-Interscience. This book was released on 2018-01-03 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials Informatics: Data-Driven Discovery in Materials Science outlines the value of adding an "informatics" dimension to the analysis of materials science phenomena, by processes which can permit one to gather and survey complex, multiscale information. Such informatics and combinatorial approaches have emerged as powerful tools in materials design and discovery, in much the same way that genomics and bioinformatics impacted the biological arena. Including topics like data mining and combinatorial experimentation, this book covers the current state of the field, and provides examples (via case studies) of the analysis of multivariate data on a wide array of materials systems.
Download or read book Data Driven Science and Engineering written by Steven L. Brunton and published by Cambridge University Press. This book was released on 2022-05-05 with total page 615 pages. Available in PDF, EPUB and Kindle. Book excerpt: A textbook covering data-science and machine learning methods for modelling and control in engineering and science, with Python and MATLAB®.
Download or read book The Fourth Paradigm written by Anthony J. G. Hey and published by . This book was released on 2009 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Foreword. A transformed scientific method. Earth and environment. Health and wellbeing. Scientific infrastructure. Scholarly communication.
Download or read book Machine Learning written by Kevin P. Murphy and published by MIT Press. This book was released on 2012-08-24 with total page 1102 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive introduction to machine learning that uses probabilistic models and inference as a unifying approach. Today's Web-enabled deluge of electronic data calls for automated methods of data analysis. Machine learning provides these, developing methods that can automatically detect patterns in data and then use the uncovered patterns to predict future data. This textbook offers a comprehensive and self-contained introduction to the field of machine learning, based on a unified, probabilistic approach. The coverage combines breadth and depth, offering necessary background material on such topics as probability, optimization, and linear algebra as well as discussion of recent developments in the field, including conditional random fields, L1 regularization, and deep learning. The book is written in an informal, accessible style, complete with pseudo-code for the most important algorithms. All topics are copiously illustrated with color images and worked examples drawn from such application domains as biology, text processing, computer vision, and robotics. Rather than providing a cookbook of different heuristic methods, the book stresses a principled model-based approach, often using the language of graphical models to specify models in a concise and intuitive way. Almost all the models described have been implemented in a MATLAB software package—PMTK (probabilistic modeling toolkit)—that is freely available online. The book is suitable for upper-level undergraduates with an introductory-level college math background and beginning graduate students.
Download or read book Applications of Minimally Invasive Nanomedicine Based Therapies in 3D in vitro Cancer Platforms written by Layla Mohammad-Hadi and published by Springer Nature. This book was released on 2022-05-31 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: Minimally invasive techniques such as Photodynamic Therapy (PDT) and Photochemical Internalisation (PCI) have for years been under investigation for the treatment of solid cancers. A significant number of the recent research studies have applied PDT and PCI to biological three-dimensional (3D) cancer platforms with many of the studies also involving the use of nanoparticles in order to enhance the efficacy of these light-based therapies. Interest in the employment of 3D cancer platforms has increased considerably due to the ability of the platforms to mimic in vivo models better than the conventional two-dimensional (2D) cultures. Some of the advantages of the 3D cancer systems over their 2D counterparts include improved interaction between cancer cells and the surrounding extracellular matrix (ECM) as well as restricted drug penetration which would allow optimization of treatments prior to undertaking of in vivo studies. The different chapters of this book will discuss photosensitizers and nanoparticles used in PDT and PCI in addition to the applications of these treatments in various 3D cancer models.
Download or read book Multifunctional Metasurfaces written by He-Xiu Xu and published by Springer Nature. This book was released on 2022-06-01 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years, we have witnessed a rapid expansion of using super-thin metasurfaces to manipulate light or electromagnetic wave in a subwavelength scale. However, most designs are confined to a passive scheme and monofunctional operation, which hinders considerably the promising applications of the metasurfaces. Specifically, the tunable and multifunctional metasurfaces enable to facilitate switchable functionalities and multiple functionalities which are extremely essential and useful for integrated optics and microwaves, well alleviating aforementioned issues. In this book, we introduce our efforts in exploring the physics principles, design approaches, and numerical and experimental demonstrations on the fascinating functionalities realized. We start by introducing in Chapter 2 the "merging" scheme in constructing multi-functional metadevices, paying particular attention to its shortcomings issues. Having understood the merits and disadvantages of the "merging" scheme, we then introduce in Chapter 3 another approach to realize bifunctional metadevices under linearly polarized excitations, working in both reflection and transmission geometries or even in the full space. As a step further, we summarizes our efforts in Chapter 4 on making multifunctional devices under circularly polarized excitations, again including designing principles and devices fabrications/characterizations. Starting from Chapter 5, we turn to introduce our efforts on using the "active" scheme to construct multifunctional metadevices under linearly polarized wave operation. Chapter 6 further concentrates on how to employ the tunable strategy to achieve helicity/frequency controls of the circularly polarized waves in reflection geometry. We finally conclude this book in Chapter 7 by presenting our perspectives on future directions of metasurfaces and metadevices.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Atomically Precise Metal Nanoclusters written by Zhikun Wu and published by Springer Nature. This book was released on 2022-06-01 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomically precise metal nanocluster research has emerged as a new frontier. This book serves as an introduction to metal nanoclusters protected by ligands. The authors have summarized the synthesis principles and methods, the characterization methods and new physicochemical properties, and some potential applications. By pursuing atomic precision, such nanocluster materials provide unprecedented opportunities for establishing precise relationships between the atomic-level structures and the properties. The book should be accessible to senior undergraduate and graduate students, researchers in various fields (e.g., chemistry, physics, materials, biomedicine, and engineering), R&D scientists, and science policy makers.
Download or read book Introduction to Optics I written by Ksenia Dolgaleva and published by Springer Nature. This book was released on 2022-05-31 with total page 97 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, Introduction to Optics I: Interaction of Light with Matter, is the first book in a series of four covering the introduction to optics and optical components. The author's targeted goal for this series is to provide clarity for the reader by addressing common difficulties encountered while trying to understand various optics concepts. This first book is organized and written in a way that is easy to follow, and is meant to be an excellent first book on optics, eventually leading the way for further study. Those with technical backgrounds as well as undergraduate students studying optics for the first time can benefit from this book series. The current book includes three chapters on light and its characteristics (Chapter 1), on matter from the standpoint of optics (Chapter 2), and on the interaction of light with matter (Chapter 3). Among the characteristics of light, the ones characterizing its speed, color, and strength are covered. The polarization of light will be covered in the next book of the series, where we discuss optical components. Chapter 2 discusses various atomic and molecular transitions activated by light (optical transitions). Different kinds of natural bulk material media are described: crystalline and amorphous, atomic and molecular, conductive and insulating. Chapter 3 on the interaction of light with matter describes naturally occurring phenomena such as absorption, dispersion, and nonlinear optical interactions. The discussion is provided for the natural bulk optical materials only. The interfaces between various materials will be covered in the next book on optical components. The following three books of the series are planned as follows. In the second book, we will focus on passive optical components such as lenses, mirrors, guided-wave, and polarization optical devices. In the third book, we will discuss laser sources and optical amplifiers. Finally, the fourth book in the series will cover optoelectronic devices, such as semiconductor light sources and detectors.
