Jonas Busk
Orcid: 0000-0003-2502-1679
According to our database1,
Jonas Busk
authored at least 6 papers
between 2018 and 2023.
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Bibliography
2023
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces.
CoRR, 2023
2022
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks.
Mach. Learn. Sci. Technol., 2022
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.
J. Chem. Inf. Model., 2022
Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials.
CoRR, 2022
2018
Proceedings of the 2018 ACM International Joint Conference and 2018 International Symposium on Pervasive and Ubiquitous Computing and Wearable Computers, 2018