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.
