Materials Informatics
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Published By Wiley

9783527341214, 9783527802265
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Pauling File: Toward a Holistic View

2019 ◽  
pp. 55-106 ◽  
Author(s):  
Pierre Villars ◽  
Karin Cenzual ◽  
Roman Gladyshevskii ◽  
Shuichi Iwata
Keyword(s):  
Holistic View

Machine Learning Interatomic Potentials for Global Optimization and Molecular Dynamics Simulation

2019 ◽  
pp. 253-288 ◽  
Author(s):  
Ivan A. Kruglov ◽  
Pavel E. Dolgirev ◽  
Artem R. Oganov ◽  
Arslan B. Mazitov ◽  
Sergey N. Pozdnyakov ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Global Optimization ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Interatomic Potentials

From Topological Descriptors to Expert Systems: A Route to Predictable Materials

2019 ◽  
pp. 107-147 ◽  
Author(s):  
Alexander P. Shevchenko ◽  
Eugeny V. Alexandrov ◽  
Olga A. Blatova ◽  
Denis E. Yablokov ◽  
Vladislav A. Blatov
Keyword(s):  
Expert Systems ◽  
Topological Descriptors

Modeling Materials Quantum Properties with Machine Learning

2019 ◽  
pp. 171-179
Author(s):  
Felix A. Faber ◽  
O. Anatole von Lilienfeld
Keyword(s):  
Machine Learning ◽  
Quantum Properties

Crystallography Open Database: History, Development, and Perspectives

2019 ◽  
pp. 1-39
Author(s):  
Saulius Gražulis ◽  
Andrius Merkys ◽  
Antanas Vaitkus ◽  
Daniel Chateigner ◽  
Luca Lutterotti ◽  
...  
Keyword(s):  
Crystallography Open Database
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