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SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials

Lou, Zekun et al.
arXiv (All) · Papers
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materials-science
SALTED provides an open-source Python package for machine learning the quantum-mechanical electron density, $n(\mathbf{r})$, in molecular and condensed-phase systems based on input atomic coordinates and species. The program adopts a linear atom-centered decomposition of the electron density, which
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