most citedOn the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials

2 citations · 2 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2023★ 2 cited

On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials

Shuaihua Lu, Luca M. Ghiringhelli, Christian Carbogno +2

Machine-learning (ML) interatomic potentials (IPs) trained on first-principles datasets are becoming increasingly popular since they promise to treat larger system sizes and longer…