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A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods.

Yangshuai WangHuajie ChenMingjie LiaoChristoph OrtnerHao WangLei Zhang
Published in: SIAM J. Sci. Comput. (2021)
Keyphrases
  • preprocessing
  • computational cost
  • learning algorithm
  • significant improvement
  • model selection
  • empirical studies
  • knowledge based systems
  • cross validation
  • machine learning methods