OMat24 provides over 110 million DFT calculations and EquiformerV2 models that reach state-of-the-art performance on material stability and formation energy prediction.
Strongly constrained and appropriately normed semilocal density functional.Physical Review Letters, 115(3):036402, 2015
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Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
OMat24 provides over 110 million DFT calculations and EquiformerV2 models that reach state-of-the-art performance on material stability and formation energy prediction.