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KNOVEL_on1112421055 |
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190824s2019 gw ob 001 0 eng d |
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|a 3527802258
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|a 9783527802265
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|a UAMI
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|a Materials Informatics :
|b Methods, Tools, and Applications /
|c edited by Olexandr Isayev, Alexander Tropsha, Stefano Curtarolo.
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260 |
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|a Weinheim, Germany :
|b Wiley-VCH,
|c 2019.
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|a 1 online resource (306 pages)
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|a 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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|a Includes bibliographical references and index.
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|a Crystallography.
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|a Isayev, Olexandr.
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|a Tropsha, Alex.
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|a Curtarolo, S.
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|i Print version:
|a Isayev, Olexandr.
|t Materials Informatics : Methods, Tools, and Applications.
|d Newark : John Wiley & Sons, Incorporated, ©2019
|z 9783527341214
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