
Başlık:
Materials Informatics : Methods, Tools, and Applications
Yazar:
Isayev, Olexandr.
ISBN:
9783527802258
9783527802265
Yayın Bilgileri:
Weinheim, Germany : Wiley-VCH, 2019.
Fiziksel Tanımlama:
1 online resource (306 pages)
İçerik:
Crystallography Open Database: History, Development, and Perspectives / Saulius Gražulis, Andrius Merkys, Antanas Vaitkus, Daniel Chateigner, Luca Lutterotti, Peter Moeck, Miguel Quiros, Robert T Downs, Werner Kaminsky, Armel Le Bail -- The Inorganic Crystal Structure Database (ICSD): A Tool for Materials Sciences / Stephan Rühl -- Pauling File: Toward a Holistic View / Pierre Villars, Karin Cenzual, Roman Gladyshevskii, Shuichi Iwata -- From Topological Descriptors to Expert Systems: A Route to Predictable Materials / Alexander P Shevchenko, Eugeny V Alexandrov, Olga A Blatova, Denis E Yablokov, Vladislav A Blatov -- A High-Throughput Computational Study Driven by the AiiDA Materials Informatics Framework and the PAULING FILE as Reference Database / Martin Uhrin, Giovanni Pizzi, Nicolas Mounet, Nicola Marzari, Pierre Villars -- Modeling Materials Quantum Properties with Machine Learning / Felix A Faber, O Anatole von Lilienfeld -- Automated Computation of Materials Properties / Cormac Toher, Corey Oses, Stefano Curtarolo -- Cognitive Chemistry: The Marriage of Machine Learning and Chemistry to Accelerate Materials Discovery / Edward O Pyzer-Knapp -- Machine Learning Interatomic Potentials for Global Optimization and Molecular Dynamics Simulation / Ivan A Kruglov, Pavel E Dolgirev, Artem R Oganov, Arslan B Mazitov, Sergey N Pozdnyakov, Efim A Mazhnik, Alexey V Yanilkin.
Özet:
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.
Notlar:
John Wiley and Sons
Tür:
Elektronik Erişim:
https://onlinelibrary.wiley.com/doi/book/10.1002/9783527802265Kopya:
Rafta:*
Kütüphane | Materyal Türü | Demirbaş Numarası | Yer Numarası | Durumu/İade Tarihi | Materyal Ayırtma |
|---|---|---|---|---|---|
Arıyor... | E-Kitap | 595430-1001 | QD905.2 | Arıyor... | Arıyor... |
