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Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles.

J. C. S. KadupitiyaGeoffrey C. FoxVikram Jadhao
Published in: Int. J. High Perform. Comput. Appl. (2020)
Keyphrases
  • machine learning
  • cost effective
  • data mining
  • management system
  • parameter settings
  • parameter tuning
  • molecular dynamics simulations
  • computer vision