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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Abstract

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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Authors

  • Laurent A. Baumes

  • Frederic Kruger

  • Santiago Jimenez

  • Pierre Collet

  • Avelino Corma

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