most citedGoing beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials

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cond-mat.mtrl-sci2025★ 1 cited

Going beyond density functional theory accuracy: Leveraging experimental data to refine pre-trained machine learning interatomic potentials

Shriya Gumber, Lorena Alzate-Vargas, Benjamin T. Nebgen +4

Machine learning interatomic potentials (MLIPs) are inherently limited by the accuracy of the training data, usually consisting of energies and forces obtained from quantum mechani…