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Towards the computational design of solid catalysts,

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A foundation model for atomistic materials chemistry

physics.chem-ph · 2023-12-29 · unverdicted · novelty 6.0

MACE-MP-0 is a general-purpose atomistic ML force field trained on public data that enables stable simulations of diverse chemical systems with qualitative and sometimes quantitative accuracy, serving as a starting point for fine-tuning.

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  • A foundation model for atomistic materials chemistry physics.chem-ph · 2023-12-29 · unverdicted · none · ref 44

    MACE-MP-0 is a general-purpose atomistic ML force field trained on public data that enables stable simulations of diverse chemical systems with qualitative and sometimes quantitative accuracy, serving as a starting point for fine-tuning.