Tejs Vegge

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 9

Top Topics

Message Passing

Energy Minimization

Top Venues

Mach. Learn. Sci. Technol.

Comput. Phys. Commun.

J. Chem. Inf. Model.

Publications

Jonas Busk, Mikkel N. Schmidt, Ole Winther, Tejs Vegge, Peter Bjørn Jørgensen
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces. CoRR (2023)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Jonas Busk, Ole Winther
Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials. CoRR (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks. Mach. Learn. Sci. Technol. 3 (1) (2022)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Peter Bjørn Jørgensen, Ole Winther
NeuralNEB - neural networks can find reaction paths fast. Mach. Learn. Sci. Technol. 3 (4) (2022)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Ole Winther
NeuralNEB - Neural Networks can find Reaction Paths Fast. CoRR (2022)
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT. J. Chem. Inf. Model. 62 (19) (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks. CoRR (2021)
Aleksei V. Ivanov, Elvar Örn Jónsson, Tejs Vegge, Hannes Jónsson
Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems. Comput. Phys. Commun. 267 (2021)
Christopher Rose, Andrew J. Medford, C. Franklin Goldsmith, Tejs Vegge, Joshua Weitz, Andrew A. Peterson
Population Susceptibility Variation and Its Effect on Contagion Dynamics. CoRR (2020)