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

  • Baumes L
  • Kruger F
  • Jimenez S
 et al. 
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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.

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  • Laurent A. Baumes

  • Frederic Kruger

  • Santiago Jimenez

  • Pierre Collet

  • Avelino Corma

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