Boosting theorical zeolitic framework generation for the determination of new materials structures using GPU programming

Autores UPV
Revista Physical Chemistry Chemical Physics


Evolutionary algorithms have proved to be efficient for solving complicated optimization problems. On the other hand, the many-core architecture in graphical cards "General Purpose Graphic Processing Unit" (GPGPU) offers one of the most attractive cost/performance ratio. Using such hardware, the manuscript shows how an efficiently implemented genetic algorithm with a simple fitness function allows boosting the determination of zeolite structures. A case study is presented. © 2011 the Societies Owner.