Materials Discovery And Design

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Accelerated Materials Discovery

Author : Phil De Luna
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110738082
Total Pages : 215 pages
Book Rating : 4.1/5 (17 download)

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Book Synopsis Accelerated Materials Discovery by : Phil De Luna

Download or read book Accelerated Materials Discovery written by Phil De Luna and published by Walter de Gruyter GmbH & Co KG. This book was released on 2022-02-21 with total page 215 pages. Available in PDF, EPUB and Kindle. Book excerpt: Typical timelines to go from discovery to impact in the advanced materials sector are between 10 to 30 years. Advances in robotics and artificial intelligence are poised to accelerate the discovery and development of new materials dramatically. This book is a primer for any materials scientist looking to future-proof their careers and get ahead of the disruption that artificial intelligence and robotic automation is just starting to unleash. It is meant to be an overview of how we can use these disruptive technologies to augment and supercharge our abilities to discover new materials that will solve world’s biggest challenges. Written by world leading experts on accelerated materials discovery from academia (UC Berkeley, Caltech, UBC, Cornell, etc.), industry (Toyota Research Institute, Citrine Informatics) and national labs (National Research Council of Canada, Lawrence Berkeley National Labs).

Information Science for Materials Discovery and Design

Author : Turab Lookman
Publisher : Springer
ISBN 13 : 331923871X
Total Pages : 316 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Information Science for Materials Discovery and Design by : Turab Lookman

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.

Computational Materials Discovery

Author : Artem Oganov
Publisher : Royal Society of Chemistry
ISBN 13 : 1782629610
Total Pages : 470 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Computational Materials Discovery by : Artem Oganov

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.

Materials Discovery and Design

Author : Turab Lookman
Publisher : Springer
ISBN 13 : 3319994654
Total Pages : 266 pages
Book Rating : 4.3/5 (199 download)

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Book Synopsis Materials Discovery and Design by : Turab Lookman

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.

Discovery of Design

Author : Dr. Donald DeYoung
Publisher : New Leaf Publishing Group
ISBN 13 : 1614582238
Total Pages : 244 pages
Book Rating : 4.6/5 (145 download)

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Book Synopsis Discovery of Design by : Dr. Donald DeYoung

Download or read book Discovery of Design written by Dr. Donald DeYoung and published by New Leaf Publishing Group. This book was released on 2009-10-01 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: A world created in perfection, now unveiled... From the frontiers of scientific discovery, researchers are now taking design elements from the natural world and creating extraordinary breakthroughs that benefit our health, our quality of life, our ability to communicate, and even help us work more efficiently. An exciting look at cutting-edge scientific advances, Discover of Design highlights incredible examples that include: How things like batteries, human organ repair, microlenses, automotive engineering, paint, and even credit card security all have links to natural designs Innovations like solar panels in space unfurled using technology gleaned from beech tree leaves, and optic research rooted in the photonic properties of opal gemstones Current and future research from the fields of stealth technology, communications, cosmetics, nanotechnology, surveillance, and more! Take a fantastic journey into the intersection of science and God's blueprints for life - discovering answers to some of the most intricate challenges we face. Experience this powerful apologetics message in a multi-purpose resource as a personal enrichment tool or as an educational supplement.

Computational Approaches to Materials Design

Author : Shubhabrata Datta
Publisher : Engineering Science Reference
ISBN 13 : 9781522502906
Total Pages : 0 pages
Book Rating : 4.5/5 (29 download)

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Book Synopsis Computational Approaches to Materials Design by : Shubhabrata Datta

Download or read book Computational Approaches to Materials Design written by Shubhabrata Datta and published by Engineering Science Reference. This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Thois volume highlights optimization tools and soft computing methods, and is ideal for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in materials engineering.

Handbook of Materials Modeling

Author : Sidney Yip
Publisher : Springer Science & Business Media
ISBN 13 : 1402032862
Total Pages : 2903 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Handbook of Materials Modeling by : Sidney Yip

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.

Artificial Intelligence for Materials Science

Author : Yuan Cheng
Publisher : Springer Nature
ISBN 13 : 3030683109
Total Pages : 231 pages
Book Rating : 4.0/5 (36 download)

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Book Synopsis Artificial Intelligence for Materials Science by : Yuan Cheng

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.

Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications

Author : Management Association, Information Resources
Publisher : IGI Global
ISBN 13 : 1522517995
Total Pages : 1837 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications by : Management Association, Information Resources

Download or read book Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications written by Management Association, Information Resources and published by IGI Global. This book was released on 2017-01-11 with total page 1837 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Machine Learning

Author : Kevin P. Murphy
Publisher : MIT Press
ISBN 13 : 0262018020
Total Pages : 1102 pages
Book Rating : 4.2/5 (62 download)

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Book Synopsis Machine Learning by : Kevin P. Murphy

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.

Computational Drug Discovery and Design

Author :
Publisher :
ISBN 13 : 9781071634431
Total Pages : 0 pages
Book Rating : 4.6/5 (344 download)

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Book Synopsis Computational Drug Discovery and Design by :

Download or read book Computational Drug Discovery and Design written by and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols.

Materials Informatics

Author : Olexandr Isayev
Publisher : John Wiley & Sons
ISBN 13 : 3527341218
Total Pages : 304 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Materials Informatics by : Olexandr Isayev

Download or read book Materials Informatics written by Olexandr Isayev and published by John Wiley & Sons. This book was released on 2019-12-04 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Frontiers in Crystalline Matter

Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309147026
Total Pages : 193 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Frontiers in Crystalline Matter by : National Research Council

Download or read book Frontiers in Crystalline Matter written by National Research Council and published by National Academies Press. This book was released on 2009-10-27 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: For much of the past 60 years, the U.S. research community dominated the discovery of new crystalline materials and the growth of large single crystals, placing the country at the forefront of fundamental advances in condensed-matter sciences and fueling the development of many of the new technologies at the core of U.S. economic growth. The opportunities offered by future developments in this field remain as promising as the achievements of the past. However, the past 20 years have seen a substantial deterioration in the United States' capability to pursue those opportunities at a time when several European and Asian countries have significantly increased investments in developing their own capacities in these areas. This book seeks both to set out the challenges and opportunities facing those who discover new crystalline materials and grow large crystals and to chart a way for the United States to reinvigorate its efforts and thereby return to a position of leadership in this field.

Introduction to Computational Materials Science

Author : Richard LeSar
Publisher : Cambridge University Press
ISBN 13 : 1107328144
Total Pages : 429 pages
Book Rating : 4.1/5 (73 download)

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Book Synopsis Introduction to Computational Materials Science by : Richard LeSar

Download or read book Introduction to Computational Materials Science written by Richard LeSar and published by Cambridge University Press. This book was released on 2013-03-28 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Interatomic Forces in Condensed Matter

Author : Mike Finnis
Publisher : Oxford Series on Materials Mod
ISBN 13 : 9780198509776
Total Pages : 306 pages
Book Rating : 4.5/5 (97 download)

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Book Synopsis Interatomic Forces in Condensed Matter by : Mike Finnis

Download or read book Interatomic Forces in Condensed Matter written by Mike Finnis and published by Oxford Series on Materials Mod. This book was released on 2003 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using a variety of academic and commercial computer programs. In all such programs there is some physical model of the inter-atomic forces, which may be based on something as simple as a pair interaction, such as the Lennard-Jones model, or as complex as a self-consistent, all-electron solution of the quantum mechanical problem. For a student or researcher, the basis of such models is often shrouded in mystery. It is usually unclear how well founded they are, since it is hard to find a discussion of the physical assumptions that have been made in their construction. The lack of clear understanding of the scope and limitations of a given model may lead to its innocent misuse, resulting either in unfair criticism of the model or in the dissemination of nonsensical results. In the present book, models of inter-atomic forces are derived from a common physical basis, namely the density functional theory. The interested reader will be able to follow the detailed derivation of pairwise potentials in simple metals, tight-binding models from the simplest to the most sophisticated (self-consistent) kind, and various ionic models. The book is self-contained, requiring no more background than provided by an undergraduate quantum mechanics course. It aims to furnish the reader with a critical appreciation of the broad range of models in current use, and to provide the tools for understanding other variants that are described in the literature. Some of the material is new, and some pointers are given to possible future avenues of model development.

Masked by Trust

Author : Matthew Reidsma
Publisher :
ISBN 13 : 9781634000833
Total Pages : pages
Book Rating : 4.0/5 (8 download)

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Book Synopsis Masked by Trust by : Matthew Reidsma

Download or read book Masked by Trust written by Matthew Reidsma and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: "Examines library discovery systems to show how the algorithms that power them are not the neutral and unbiased systems that they are claimed to be, but are affected by the human biases of programmers and the commercial influences of their production"--

Informatics for Materials Science and Engineering: Data-Driven Discovery for Accelerated Experimentation and Application

Author : Krishna Rajan
Publisher : Butterworth-Heinemann
ISBN 13 : 9780128101216
Total Pages : 542 pages
Book Rating : 4.1/5 (12 download)

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Book Synopsis Informatics for Materials Science and Engineering: Data-Driven Discovery for Accelerated Experimentation and Application by : Krishna Rajan

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 "