Materials Informatics Ii
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Materials Informatics Ii
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-03-14
Materials Informatics Ii 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 2025-03-14 with Science categories.
This contributed volume explores the application of machine learning in predictive modeling within the fields of materials science, nanotechnology, and cheminformatics. It covers a range of topics, including electronic properties of metal nanoclusters, carbon quantum dots, toxicity assessments of nanomaterials, and predictive modeling for fullerenes and perovskite materials. Additionally, the book discusses multiscale modeling and advanced decision support systems for nanomaterial risk management, while also highlighting various machine learning tools, databases, and web platforms designed to predict the properties of materials and molecules. It is a comprehensive guide and a great tool for researchers working at the intersection of machine learning and material sciences.
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.
Advances In Computer Science And Information Technology
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Author : Natarajan Meghanathan
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-12-14
Advances In Computer Science And Information Technology written by Natarajan Meghanathan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-12-14 with Computers categories.
This volume constitutes the first of three parts of the refereed proceedings of the First International Conference on Computer Science and Information Technology, CCSIT 2010, held in Bangalore, India, in January 2011. The 59 revised full papers presented in this volume were carefully reviewed and selected. The papers are organized in topical sections on distributed and parallel systems and algorithms; DSP, image processing, pattern recognition, and multimedia; software engineering; database and data Mining; as well as soft computing, such as AI, neural networks, fuzzy systems, etc.
Materials Informatics Iii
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Author : Kunal Roy
language : en
Publisher: Springer Nature
Release Date : 2025-03-01
Materials Informatics Iii 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 2025-03-01 with Science categories.
This contributed volume focuses on the application of machine learning and cheminformatics in predictive modeling for organic materials, polymers, solvents, and energetic materials. It provides an in-depth look at how machine learning is utilized to predict key properties of polymers, deep eutectic solvents, and ionic liquids, as well as to improve safety and performance in the study of energetic and reactive materials. With chapters covering polymer informatics, quantitative structure–property relationship (QSPR) modeling, and computational approaches, the book serves as a comprehensive resource for researchers applying predictive modeling techniques to advance materials science and improve material safety and performance.
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.
Proceedings Of The 2nd World Congress On Integrated Computational Materials Engineering Icme
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Author : Mei Li
language : en
Publisher: Springer
Release Date : 2016-12-19
Proceedings Of The 2nd World Congress On Integrated Computational Materials Engineering Icme written by Mei Li and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-19 with Technology & Engineering categories.
This book represents a collection of papers presented at the 2nd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS).
Topics In Nanoscience In 2 Parts
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Author : Wolfram Schommers
language : en
Publisher: World Scientific
Release Date : 2021-12-17
Topics In Nanoscience In 2 Parts written by Wolfram Schommers and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-12-17 with Science categories.
With the development of the scanning tunneling microscope, nanoscience became an important discipline. Single atoms could be manipulated in a controlled manner, and it became possible to change matter at its 'ultimate' level; it is the level on which the properties of matter emerge. This possibility enables to construct and to produce devices, materials, etc. with very small sizes and completely new properties. That opens up new perspectives for technology and is in particular relevant in connection with nano-engineering.Nanosystems are unimaginably small and very fast. No doubt, this is an important characteristic. But there is another feature, possibly more relevant, in connection with nanoscience and nanotechnology. The essential point here is that we work at the 'ultimate level'. This is the smallest level at which the properties of our world emerge, at which functional matter can exist. In particular, at this level biological individuality comes into existence. This situation can be expressed in absolute terms: This is not only the strongest material ever made, this is the strongest material it will ever be possible to make (D Ratner and M Ratner, Nanotechnology and Homeland Security). This is a very general statement. All aspects of matter are concerned here. Through the variation of the composition various forms of matter emerge with different items.Nanosystems are usually small, but they offer nevertheless the possibility to vary the structure of atomic (molecular) ensembles, creating a diversity of new material-specific properties. A large variety of experimental possibilities come into play and flexible theoretical tools are needed at the basic level. This is reflected in the different disciplines: In nanoscience and nanotechnology we have various directions: Materials science, functional nanomaterials, nanoparticles, food chemistry, medicine with brain research, quantum and molecular computing, bioinformatics, magnetic nanostructures, nano-optics, nano-electronics, etc.The properties of matter, which are involved within these nanodisciplines, are ultimate in character, i.e., their characteristic properties come into existence at this level. The book is organized in this respect.
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.
Materials Science Testing And Informatics Ii
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Author : J. Gyulai
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2005-01-15
Materials Science Testing And Informatics Ii written by J. Gyulai 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 2005-01-15 with Technology & Engineering categories.
Proceedings of the 4th Hungarian Conference and Exhibition on Materials Science, Testing and Informatics, Balatonfüred, Hungary, October 12-14, 2003
Materials Science Testing And Informatics Ii
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Author :
language : en
Publisher:
Release Date : 2005
Materials Science Testing And Informatics Ii written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
The series, "Hungarian Conference and Exhibition on Materials Science, Testing and Informatics", was founded in order to provide a forum in which Hungarian and foreign scientists and research groups - interested in metals and alloys, silicates, polymers and composites - would have the opportunity to exchange and publish ideas and to establish new integrated partnerships. The 4th Hungarian Conference and Exhibition on Materials Science, Testing and Informatics was held on the Balaton lakeside, at Balatonfüred, October 12-14th, 2003. The following topics are covered in the proceedings: functional materials and technologies of the new millennium (including mechanical engineering, electrotechnics, energetics, ceramics, polymers, biotechnology, nanostructures, smart materials, gradient materials); modern research and characterization methods; modeling, simulation and materials informatics; innovative products and technologies. The proceedings are therefore an invaluable source of up-to-date information on the field.