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Encyclopedia > GEGA

GEGA stands for the (ab initio) Gradient Embedded Genetic Algorithm, a program for finding the global minima of clusters. The Author is Anastassia Alexandrova (Utah State University, and later Yale University). GEGA employs geometry-cuts for the Genetic Algorithm procedure, ab initio level of computation for geometry optimization and vibrational frequency analysis (GEGA works with local minima only), and a specific mutational procedure based on the so called "kick technique". Utah State Universitys main campus is located in Logan, Utah. ... “Yale” redirects here. ...


Details can be found in

Anastassia N. Alexandrova, Alexander I. Boldyrev J. Chem. Theory Comput., 2005, 1, 566. (PDF)


Anastassia N. Alexandrova, Alexander I. Boldyrev, You-Jun Fu, Xin Yang, Xue-Bin Wang, Lai-Sheng Wang J. Chem. Phys., 2004, 121, 5709. (PDF)



 
 

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