Materials Informatics I
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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
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Author : Kunal Roy
language : en
Publisher: Springer
Release Date : 2025-02-28
Materials Informatics I written by Kunal Roy and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-28 with Computers categories.
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.
Materials Informatics
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Author : Krishna Rajan
language : en
Publisher: Elsevier
Release Date : 2025-12-01
Materials Informatics written by Krishna Rajan and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-12-01 with Technology & Engineering categories.
Materials Informatics: Molecules, Crystals and Beyond discusses the role of information science in aiding the discovery and interpretation of multiscale relationships that are critical for materials discovery, design, and optimization. The book covers key challenges in applying information science methods to materials science, including the multidimensional nature of structure-property relationships, data sparsity, and the nature and sources of uncertainty, along with a brief overview of the algorithmic tools used for unsupervised and supervised learning. Building on these topics, chapters then cover the development of physics/chemistry informed data representations of structure and properties, the application of machine learning for structure and property prediction and screening for targeted properties, and the utilization of techniques such a graphics recognition, natural language processing, and statistically driven visualization tools in deciphering processing-structure-property-performance relationships in materials.
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
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)
Artificial Intelligence For Materials Informatics
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Author : S. Sachin Kumar
language : en
Publisher: Springer Nature
Release Date : 2025-07-29
Artificial Intelligence For Materials Informatics written by S. Sachin Kumar and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-29 with Computers categories.
This comprehensive book explores the transformative impact of AI on materials informatics, delving into machine learning/deep learning, and material knowledge representation. Embracing the transformative power of artificial intelligence (AI), the field of materials informatics has witnessed a remarkable revolution in its methodology and applications. AI has revolutionized the field of materials informatics, enabling researchers to discover, design, and optimize materials with enhanced properties at an accelerated pace. It showcases how AI is accelerating materials discovery, property prediction, providing case studies, and a comprehensive bibliography for further exploration. This essential resource equips researchers, scientists, and engineers with the knowledge and tools to harness the power of AI for groundbreaking advancements in materials science.
An Introduction To Materials Informatics
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Author : Tongyi Zhang
language : en
Publisher: Springer Nature
Release Date : 2025-02-26
An Introduction To Materials Informatics written by Tongyi Zhang and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-26 with Technology & Engineering categories.
This textbook educates current and future materials workers, engineers, and researchers on Materials Informatics. Volume I serves as an introduction, merging AI, ML, materials science, and engineering. It covers essential topics and algorithms in 11 chapters, including Linear Regression, Neural Networks, and more. Suitable for diverse fields like materials science, physics, and chemistry, it enables quick and easy learning of Materials Informatics for readers without prior AI and ML knowledge.
Machine Learning In Materials Informatics
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Author : Yuling An
language : en
Publisher:
Release Date : 2022
Machine Learning In Materials Informatics written by Yuling An and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with Machine learning categories.
This book is about machine learning in materials informatics
Materials Informatics And Catalysts Informatics
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Author : Keisuke Takahashi
language : en
Publisher: Springer Nature
Release Date : 2024-03-30
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 2024-03-30 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.