Curtarolo, Stefano
Materials Informatics: Methods, Tools, and Applications
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.
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.
Avainsanat: materials informatics; materials science; informatics; data mining; machine learning; big data; crystal structures; chemistry; crystallography; chemical data; molecular modeling; physics; bioinformatics; modeling; simulation; computational materials
- Toimittaja
- Curtarolo, Stefano
- Isayev, Olexandr
- Tropsha, Alexander
- Julkaisija
- John Wiley and Sons, Inc.
- Julkaisuvuosi
- 2019
- Kieli
- en
- Painos
- 1
- Sivumäärä
- 304 sivua
- Kategoria
- Tekniikka, energia, liikenne
- Tiedostomuoto
- E-kirja
- eISBN (ePUB)
- 9783527802272
- Painetun ISBN
- 9783527341214