A neural network-based method for advancing orbital-free density functional theory (OFDFT) is developed, which reaches DFT accuracy and maintains lower cost complexity.
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Hauser, A.W. Pushing the limits of OFDFT with neural networks. Nat Comput Sci 4, 163â164 (2024). https://doi.org/10.1038/s43588-024-00610-x
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DOI: https://doi.org/10.1038/s43588-024-00610-x
