Tejs Vegge

According to our database, Tejs Vegge authored at least 18 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

AtomComposer: Discovering Chemical Space from First Principles with Reinforcement Learning.

Bjarke Hastrup, François R. J. Cornet, Tejs Vegge, Arghya Bhowmik

CoRR, May, 2026

Global Plane Waves From Local Gaussians: Periodic Charge Densities in a Blink.

Jonas Elsborg, Felix Ærtebjerg, Luca A. Thiede, Alán Aspuru-Guzik, Tejs Vegge, Arghya Bhowmik

CoRR, January, 2026

2025

Implementing a Scalable, Redeployable and Multitiered Repository for FAIR and Secure Scientific Data Sharing: The BIG-MAP Archive.

Valeria Granata, Francois Liot, Xing Wang, Steen Lysgaard, Ivano E. Castelli, Tejs Vegge, Nicola Marzari, Giovanni Pizzi

CoRR, December, 2025

GO-Diff: Data-free and amortized global structure optimization.

Nikolaj Rønne, Tejs Vegge, Arghya Bhowmik

CoRR, October, 2025

Shoot from the HIP: Hessian Interatomic Potentials without derivatives.

Andreas Burger, Luca A. Thiede, Nikolaj Rønne, Varinia Bernales, Nandita Vijaykumar, Tejs Vegge, Arghya Bhowmik, Alán Aspuru-Guzik

CoRR, September, 2025

Acoustic Classification of Maritime Vessels using Learnable Filterbanks.

Jonas Elsborg, Tejs Vegge, Arghya Bhowmik

CoRR, May, 2025

Autonomous nanoparticle synthesis by design.

Andy S. Anker, Jonas H. Jensen, Miguel González Duque, Rodrigo Moreno, Aleksandra Smolska, Mikkel Juelsholt, Vincent Hardion, Mads R. V. Jorgensen, Andrés Faiña, Jonathan Quinson, Kasper Støy, Tejs Vegge

CoRR, May, 2025

ELECTRA: A Symmetry-breaking Cartesian Network for Charge Density Prediction with Floating Orbitals.

Jonas Elsborg, Luca A. Thiede, Alán Aspuru-Guzik, Tejs Vegge, Arghya Bhowmik

CoRR, March, 2025

Empowering Lab Education: Integrating a Vision-Based Monitoring System with Small-Scale Self-Driving Experiment Platforms.

Junru Ren, Nis Fisker-Bødker, Ronja Güldenring, Jin Hyun Chang, Tejs Vegge, Ole Ravn, Lazaros Nalpantidis

Proceedings of the IEEE/SICE International Symposium on System Integration, 2025

2024

MolMiner: Transformer architecture for fragment-based autoregressive generation of molecular stories.

Raul Ortega Ochoa, Tejs Vegge, Jes Frellsen

CoRR, 2024

2023

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

Jonas Busk, Mikkel N. Schmidt, Ole Winther, Tejs Vegge, Peter Bjørn Jørgensen

CoRR, 2023

2022

NeuralNEB - neural networks can find reaction paths fast.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Peter Bjørn Jørgensen, Ole Winther

Mach. Learn. Sci. Technol., December, 2022

Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks.

Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge

Mach. Learn. Sci. Technol., 2022

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.

Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik

J. Chem. Inf. Model., 2022

Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Jonas Busk, Ole Winther

CoRR, 2022

NeuralNEB - Neural Networks can find Reaction Paths Fast.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Ole Winther

CoRR, 2022

2021

Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems.

Aleksei V. Ivanov, Elvar Örn Jónsson, Tejs Vegge, Hannes Jónsson

Comput. Phys. Commun., 2021

2020

Population Susceptibility Variation and Its Effect on Contagion Dynamics.

Christopher Rose, Andrew J. Medford, C. Franklin Goldsmith, Tejs Vegge, Joshua Weitz, Andrew A. Peterson

CoRR, 2020