nuwan-d/MLIP_LiNbO3_VASP_LAMMPS
Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations in LAMMPS
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Development of DFT-trained machine-learning interatomic potentials for lithium niobate, with applications to large-scale MD simulations in LAMMPS