Density functionals from deep learning

Preprint English OPEN
McMahon, Jeffrey M.;
(2016)
  • Subject: Physics - Chemical Physics | Physics - Computational Physics

Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep learning is developed to approxima... View more
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