Materials Informatics: Methods, Tools, and Applications

Materials Informatics: Methods, Tools, and ApplicationsReviews
Author: Olexandr Isayev
Pub Date: 2019
ISBN: 978-3527341214
Pages: 304
Language: English
Format: PDF
Size: 11 Mb

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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.