most citedEfficiency, Accuracy, and Transferability of Machine Learning Potentials: Application to Dislocations and Cracks in Iron

38 citations · 38 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2023★ 38 cited

Efficiency, Accuracy, and Transferability of Machine Learning Potentials: Application to Dislocations and Cracks in Iron

Lei Zhang, Gábor Csányi, Erik van der Giessen +1

Machine learning interatomic potentials (ML-IAPs) enable quantum-accurate, classical molecular dynamics simulations of large systems, beyond reach of density functional theory (DFT…