scholarly journals Challenges of continuous global optimization in molecular structure prediction

2007 ◽  
Vol 181 (3) ◽  
pp. 1198-1213 ◽  
Author(s):  
Gleb Beliakov ◽  
Kieran F. Lim
Keyword(s):  
Molecular Structure ◽  
Global Optimization ◽  
Structure Prediction ◽  
Continuous Global Optimization

scholarly journals Contact map based crystal structure prediction using global optimization

CrystEngComm ◽  
2021 ◽  
Author(s):  
Jianjun Hu ◽  
Wenhui Yang ◽  
Rongzhi Dong ◽  
Yuxin Li ◽  
Xiang Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Global Optimization ◽  
Crystal Engineering ◽  
Structure Prediction ◽  
Crystal Structure Prediction ◽  
New Materials ◽  
Contact Map

Crystal structure prediction is now playing an increasingly important role in the discovery of new materials or crystal engineering.

Software for Continuous Global Optimization Using Unix C++

1997 ◽  
pp. 327-336
Author(s):  
Jonas Mockus ◽  
William Eddy ◽  
Audris Mockus ◽  
Linas Mockus ◽  
Gintaras Reklaitis
Keyword(s):  
Global Optimization ◽  
Continuous Global Optimization
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