PET-MAD, a universal interatomic potential for advanced materials modeling

1 code implementation • 18 Mar 2025 • Arslan Mazitov, Filippo Bigi, Matthias Kellner, Paolo Pegolo, Davide Tisi, Guillaume Fraux, Sergey Pozdnyakov, Philip Loche, Michele Ceriotti

Machine-learning interatomic potentials (MLIPs) have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of the effort.

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