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M-OFDFT: 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: CoRR (2023)
Keyphrases
  • deep learning
  • unsupervised learning
  • restricted boltzmann machine
  • machine learning
  • high dimensional
  • information extraction
  • domain specific
  • mental models