Fine-tuning the MACE-MPA-0 foundation model on 5-10 60-atom DFT configurations reproduces the barocaloric phase transformation in ammonium sulfate, while training from scratch fails at these sizes.
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Barocaloric phase transformation from data efficient fine-tuning of machine learned interatomic potentials
Fine-tuning the MACE-MPA-0 foundation model on 5-10 60-atom DFT configurations reproduces the barocaloric phase transformation in ammonium sulfate, while training from scratch fails at these sizes.