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Materials Informatics I


Materials Informatics I
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Materials Informatics


Materials Informatics
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Author : Olexandr Isayev
language : en
Publisher: John Wiley & Sons
Release Date : 2019-12-04

Materials Informatics written by Olexandr Isayev and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-12-04 with Technology & Engineering categories.


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.



Hierarchical Materials Informatics


Hierarchical Materials Informatics
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Author : Surya R. Kalidindi
language : en
Publisher: Elsevier
Release Date : 2015-08-06

Hierarchical Materials Informatics written by Surya R. Kalidindi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-08-06 with Technology & Engineering categories.


Custom design, manufacture, and deployment of new high performance materials for advanced technologies is critically dependent on the availability of invertible, high fidelity, structure-property-processing (SPP) linkages. Establishing these linkages presents a major challenge because of the need to cover unimaginably large dimensional spaces. Hierarchical Materials Informatics addresses objective, computationally efficient, mining of large ensembles of experimental and modeling datasets to extract this core materials knowledge. Furthermore, it aims to organize and present this high value knowledge in highly accessible forms to end users engaged in product design and design for manufacturing efforts. As such, this emerging field has a pivotal role in realizing the goals outlined in current strategic national initiatives such as the Materials Genome Initiative (MGI) and the Advanced Manufacturing Partnership (AMP). This book presents the foundational elements of this new discipline as it relates to the design, development, and deployment of hierarchical materials critical to advanced technologies. - Addresses a critical gap in new materials research and development by presenting a rigorous statistical framework for the quantification of microstructure - Contains several case studies illustrating the use of modern data analytic tools on microstructure datasets (both experimental and modeling)



Informatics For Materials Science And Engineering


Informatics For Materials Science And Engineering
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Author : Krishna Rajan
language : en
Publisher: Butterworth-Heinemann
Release Date : 2013-07-10

Informatics For Materials Science And Engineering written by Krishna Rajan and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-10 with Technology & Engineering categories.


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



Materials Informatics


Materials Informatics
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Author : Olexandr Isayev
language : en
Publisher: John Wiley & Sons
Release Date : 2019-08-14

Materials Informatics written by Olexandr Isayev and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-08-14 with Technology & Engineering categories.


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 I


Materials Informatics I
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-05-10

Materials Informatics I written by Kunal Roy and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-10 with Science categories.


This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, quantitative read-across structure-property relationship (q-RASPR) models, optimization strategies with minimal data, and in silico studies using different descriptors. Additionally, it explores machine learning algorithms and their applications in materials science, alongside innovative modeling approaches for quantum-theoretic properties. Overall, the book serves as a comprehensive resource for understanding and applying machine learning in the study and development of advanced materials and is a useful tool for students, researchers and professionals working in these areas.



Nanoinformatics


Nanoinformatics
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Author : Isao Tanaka
language : en
Publisher: Springer
Release Date : 2018-01-15

Nanoinformatics written by Isao Tanaka and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-15 with Technology & Engineering categories.


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.



Information Science For Materials Discovery And Design


Information Science For Materials Discovery And Design
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Author : Turab Lookman
language : en
Publisher: Springer
Release Date : 2015-12-12

Information Science For Materials Discovery And Design written by Turab Lookman and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-12-12 with Technology & Engineering categories.


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.



Artificial Intelligence For Materials Science


Artificial Intelligence For Materials Science
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Author : Yuan Cheng
language : en
Publisher: Springer Nature
Release Date : 2021-03-26

Artificial Intelligence For Materials Science written by Yuan Cheng and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-26 with Technology & Engineering categories.


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.



Artificial Neural Networks And Machine Learning Icann 2019 Workshop And Special Sessions


Artificial Neural Networks And Machine Learning Icann 2019 Workshop And Special Sessions
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Author : Igor V. Tetko
language : en
Publisher: Springer
Release Date : 2019-09-11

Artificial Neural Networks And Machine Learning Icann 2019 Workshop And Special Sessions written by Igor V. Tetko and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-11 with Computers categories.


The proceedings set LNCS 11727, 11728, 11729, 11730, and 11731 constitute the proceedings of the 28th International Conference on Artificial Neural Networks, ICANN 2019, held in Munich, Germany, in September 2019. The total of 277 full papers and 43 short papers presented in these proceedings was carefully reviewed and selected from 494 submissions. They were organized in 5 volumes focusing on theoretical neural computation; deep learning; image processing; text and time series; and workshop and special sessions.



The Fourth Paradigm


The Fourth Paradigm
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Author : Anthony J. G. Hey
language : en
Publisher:
Release Date : 2009

The Fourth Paradigm written by Anthony J. G. Hey and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Computers categories.


Foreword. A transformed scientific method. Earth and environment. Health and wellbeing. Scientific infrastructure. Scholarly communication.