Tejs Vegge

Orcid: 0000-0002-1484-0284

According to our database1, Tejs Vegge authored at least 8 papers between 2020 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces.
CoRR, 2023

2022
NeuralNEB - neural networks can find reaction paths fast.
Mach. Learn. Sci. Technol., December, 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

NeuralNEB - Neural Networks can find Reaction Paths Fast.
CoRR, 2022

2021
Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems.
Comput. Phys. Commun., 2021

2020
Population Susceptibility Variation and Its Effect on Contagion Dynamics.
CoRR, 2020


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