muammar / ml4chem

ML4Chem: Machine Learning for Chemistry and Materials
https://ml4chem.dev
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Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network #15

Open muammar opened 5 years ago

muammar commented 5 years ago

Implement model shown in Ghasemi, S. A., Hofstetter, A., Saha, S. & Goedecker, S. Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network. Phys. Rev. B 92, 045131 (2015).

muammar commented 5 years ago

See #16.