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Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties

Grandel, Jonas et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
Machine-learning interatomic potentials are widely used as computationally efficient surrogates for density functional theory in atomistic simulations, enabling large-scale, long-time modeling of materials systems. We investigate how different fine-tuning strategies influence the prediction of harmo
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