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Materials Informatics [electronic resource] : Methods, Tools, and Applications / edited by Olexandr Isayev, Alexander Tropsha, Stefano Curtarolo.

Contributor(s): Isayev, Olexandr | Tropsha, Alex | Curtarolo, S. (Stefano).
Material type: materialTypeLabelBookPublisher: Weinheim, Germany : Wiley-VCH, 2019Description: 1 online resource (306 p.).ISBN: 9783527802258; 3527802258; 9783527802265; 3527802266.Subject(s): Crystallography | CrystallographyGenre/Form: Electronic books.Additional physical formats: Print version:: Materials Informatics : Methods, Tools, and ApplicationsDDC classification: 548 Online resources: Wiley Online Library
Contents:
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.
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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.

Includes bibliographical references and index.

Description based upon print version of record.

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