Materials Informatics And Catalysts Informatics
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Materials Informatics And Catalysts Informatics
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Author : Keisuke Takahashi
language : en
Publisher: Springer Nature
Release Date :
Materials Informatics And Catalysts Informatics written by Keisuke Takahashi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
Materials Informatics And Catalyst Informatics
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Author : Keisuke Takahashi
language : en
Publisher: Springer
Release Date : 2024-03-29
Materials Informatics And Catalyst Informatics written by Keisuke Takahashi and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-29 with Technology & Engineering categories.
This textbook is designed for students and researchers who are interested in materials and catalysts informatics with little to no prior experience in data science or programming languages. Starting with a comprehensive overview of the concept and historical context of materials and catalysts informatics, it serves as a guide for establishing a robust materials informatics environment. This essential resource is designed to teach vital skills and techniques required for conducting informatics-driven research, including the intersection of hardware, software, programming, machine learning within the field of data science and informatics. Readers will explore fundamental programming techniques, with a specific focus on Python, a versatile and widely-used language in the field. The textbook explores various machine learning techniques, equipping learners with the knowledge to harness the power of data science effectively. The textbook provides Python code examples, demonstrating materials informatics applications, and offers a deeper understanding through real-world case studies using materials and catalysts data. This practical exposure ensures readers are fully prepared to embark on their informatics-driven research endeavors upon completing the textbook. Instructors will also find immense value in this resource, as it consolidates the skills and information required for materials informatics into one comprehensive repository. This streamlines the course development process, significantly reducing the time spent on creating course material. Instructors can leverage this solid foundation to craft engaging and informative lecture content, making the teaching process more efficient and effective.
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
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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.
Crystalline Metal Oxide Catalysts
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Author : Wataru Ueda
language : en
Publisher: Springer Nature
Release Date : 2022-10-26
Crystalline Metal Oxide Catalysts written by Wataru Ueda and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-26 with Science categories.
This book introduces the innovatively advanced crystalline metal oxide catalysts that have multi-catalytic functions on the basis of spatially placed elements in crystal structure. With authors who are experts in their fields, the chapters of the book are organized according to catalytic function, on the basis of crystal structure. The book also covers the structure determination of micro–nano-sized metal oxide crystals that are now standard in most catalytic materials and new trends in catalyst development using materials informatics and catalytic informatics. The information contained here will guide researchers who are eager to carry out sustainable catalytic processes and ultimately to achieve a sustainable society in their quest for catalyst development.
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.
Workshop 2 Materials Informatics Harnessing Information Technology For Combinatorial Materials Science
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Author :
language : en
Publisher:
Release Date : 2000
Workshop 2 Materials Informatics Harnessing Information Technology For Combinatorial Materials Science written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Catalysis categories.
Materials Science Testing And Informatics Vi
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Author : Tibor Berecz
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2012-11-12
Materials Science Testing And Informatics Vi written by Tibor Berecz and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-11-12 with Technology & Engineering categories.
Selected, peer reviewed papers from the 8th Hungarian Conference on Materials Science, October 9-11, 2011, Balatonkenese, Hungary
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)
Combinatorial Materials Science
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Author : Marc D. Porter
language : en
Publisher: John Wiley & Sons
Release Date : 2007-08-17
Combinatorial Materials Science written by Marc D. Porter 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 2007-08-17 with Technology & Engineering categories.
Combinatorial Materials Science describes new developments and research results in catalysts, biomaterials, and nanomaterials, together with informatics approaches to the analysis of Combinatorial Science (CombiSci) data. CombiSci has been used extensively in the pharmaceutical industry, but there is enormous potential in its application to materials design and characterization. Addressing advances and applications in both fields, Combinatorial Materials Science: Integrates the scientific fundamentals and interdisciplinary underpinnings required to develop and apply CombiSci concepts Discusses the development and use of CombiSci for the systematic and accelerated investigation of new phenomena and of the complex structure-function interplay in materials Covers the development of new library design strategies for materials processing and for high-throughput tools for rapid sampling Uses a unique, unified approach of applying combinatorial methods to unravel the non-linear structure-function relationships in diverse materials (both hard and soft), together with advances in informatics With chapters written by leading researchers in their specialty areas, this authoritative guide is a must-have resource for scientists and engineers in materials science research, biochemists, chemists, immunologists, cell biologists, polymer scientists, chemical and mechanical engineers, statisticians, and computer scientists. It is also a great text for graduate-level courses in materials science/engineering, polymer science, chemical engineering, and chemistry.