Neuroevolution potentials, trained with an evolutionary strategy and running on GPUs, match or approach quantum-accurate energies and forces while simulating systems with millions of atoms, at speeds far beyond competing machine-learned potentials.
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Advances in modeling complex materials: The rise of neuroevolution potentials
Neuroevolution potentials, trained with an evolutionary strategy and running on GPUs, match or approach quantum-accurate energies and forces while simulating systems with millions of atoms, at speeds far beyond competing machine-learned potentials.