OpenKIM Username: stefan-goedecker
OpenKIM User ID: 3725f53e-1542-4936-bd28-bab1f4e68468
Description of Work —
Neural network potentials based on a charge equilibration scheme
Materials
Selected ionic materials
Bibliography
"Interatomic potentials for ionic systems with density functional accuracy based on charge densities obtained by a neural network"
S. Alireza Ghasemi, Albert Hofstetter, Santanu Saha, Stefan Goedecker
Physical Review B 92, 045131 (2015).
doi:10.1103/PhysRevB.92.045131
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