English | 2019 | ISBN: 3527341218 | 320 pages | True EPUB | 18.78 MB

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 emeg 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 expental discovery of new materials.

Materials Informatics: Methods, Tools and Applications is presented in two partsMethodological 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.



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