Название: Materials Informatics: Methods, Tools, and Applications
Автор: Olexandr Isayev (Editor), Alexander Tropsha (Editor), Stefano Curtarolo (Editor)
Издательство: Wiley-VCH
Год: 2019
Формат: True PDF
Страниц: 304
Размер: 10.3 Mb
Язык: English

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.






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