Computational Materials Discovery
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Published By Royal Society Of Chemistry

9781782629610
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Chapter 13. Computational Discovery of Organic LED Materials

2018 ◽  
pp. 423-446
Author(s):  
Rafael Gómez-Bombarelli ◽  
Alán Aspuru-Guzik
Keyword(s):  
Computational Discovery

Chapter 1. Computational Materials Discovery: Dream or Reality?

2018 ◽  
pp. 1-14
Author(s):  
Artem R. Oganov ◽  
Alexander G. Kvashnin ◽  
Gabriele Saleh
Keyword(s):  
Computational Materials

Chapter 5. Chemical Bonding Investigations for Materials

2018 ◽  
pp. 117-175
Author(s):  
Gabriele Saleh ◽  
Davide Ceresoli ◽  
Giovanni Macetti ◽  
Carlo Gatti
Keyword(s):  
Chemical Bonding

Chapter 4. Embedding Methods in Materials Discovery

2018 ◽  
pp. 87-116
Author(s):  
Peter V. Sushko ◽  
Chen Huang ◽  
Niranjan Govind ◽  
Karol Kowalski
Keyword(s):  
Embedding Methods

Chapter 2. Computational Materials Discovery Using Evolutionary Algorithms

2018 ◽  
pp. 15-65
Author(s):  
Artem R. Oganov ◽  
Ivan Kruglov ◽  
Jin Zhang ◽  
M. Mahdi Davari Esfahani
Keyword(s):  
Evolutionary Algorithms ◽  
Computational Materials
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