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Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning.

He ZhangSiyuan LiuJiacheng YouChang LiuShuxin ZhengZiheng LuTong WangNanning ZhengBin Shao
Published in: Nat. Comput. Sci. (2024)
Keyphrases
  • deep learning
  • unsupervised learning
  • machine learning
  • text classification
  • restricted boltzmann machine