most citedProjector augmented-wave and all-electron calculations across the periodic table: a comparison of structural and energetic properties

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physics.comp-ph2023

PANNA 2.0: Efficient neural network interatomic potentials and new architectures

Franco Pellegrini, Ruggero Lot, Yusuf Shaidu +1

We present the latest release of PANNA 2.0 (Properties from Artificial Neural Network Architectures), a code for the generation of neural network interatomic potentials based on lo…