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M-OFDFT: Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning.
He Zhang
Siyuan Liu
Jiacheng You
Chang Liu
Shuxin Zheng
Ziheng Lu
Tong Wang
Nanning Zheng
Bin Shao
Published in:
CoRR (2023)
Keyphrases
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deep learning
unsupervised learning
restricted boltzmann machine
machine learning
high dimensional
information extraction
domain specific
mental models