@article{graphneuralnetworkinteratomicpotential, title = {Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces}, author = {Jonas Busk and Mikkel N. Schmidt and Ole Winther and Tejs Vegge and Peter Bjørn Jørgensen}, year = {2023}, eprint = {2305.16325}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2305.16325v2}, }