Tejs Vegge

Pioneer (United States) — United States

Materials Science · Physical Sciences

65h-index23.0kcitations428works6.22yr avg
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Research Topics

Machine Learning in Materials Science(77), Advanced Battery Materials and Technologies(76), Electrocatalysts for Energy Conversion(75), Advancements in Battery Materials(71), Hydrogen Storage and Materials(64)

Publications427 total

FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction
Advanced Intelligent Discovery·2025Open Access
The Interoperability Challenge in DFT Workflows Across Implementations
arXiv (Cornell University)·2025Open Access
A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25–100 Logical Qubits
Journal of Chemical Theory and Computation·2025· 3 cited
GO-Diff: Data-free and amortized global structure optimization
arXiv (Cornell University)·2025Open Access
Connecting the concepts of quantum state tomography and molecular representations for machine learning
2025Open Access
FastCat - Autonomous Discovery ofMultielement LDH Alloy Catalysts for AlkalineOER
2025Open Access
The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers
Advanced Intelligent Discovery·2025Open Access
Understanding Oxygen-Ion Migration in Hexagonal Perovskites Through Autonomous Workflows and Density Functional Theory
2025Open Access
A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits
ArXiv.org·2025· 1 citedOpen Access
Discovering Chemical Space from First Principles with Reinforcement Learning
2025Open Access
Strain Engineering in Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> Hexagonal Perovskites for Enhanced Oxygen-Ion Conductivity
ACS Materials Letters·2025· 1 cited
The importance of gas purity in catalytic ammonia synthesis
Journal of Catalysis·2025· 7 citedOpen Access
Autonomous nanoparticle synthesis by design
arXiv (Cornell University)·2025· 3 citedOpen Access
Activity‐Selectivity Trends in Electrochemical Urea Synthesis: Co‐Reduction of CO<sub>2</sub> and Nitrates Over Single‐Site Catalysts
Advanced Science·2025· 3 citedOpen Access
Science acceleration and accessibility with self-driving labs
Nature Communications·2025· 40 citedOpen Access
ELECTRA: A Cartesian Network for 3D Charge Density Prediction with Floating Orbitals
arXiv (Cornell University)·2025Open Access
An Adsorption Isotherm That Includes the Interactions between Adsorbates
The Journal of Physical Chemistry C·2025· 16 cited
Democratizing self-driving labs through user-developed automation infrastructure
2025· 4 citedOpen Access
A tomographic interpretation of structure-property relations for materials discovery
ArXiv.org·2025· 2 citedOpen Access
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Frequent Co-authors

Heine Anton Hansen(11), Jens K. Nørskov(9), Rune Christensen(6), Arghya Bhowmik(6), Jan Rossmeisl(5), Petra E. de Jongh(5), Jens S. Hummelshøj(5), Poul Norby(5), Ivano E. Castelli(4), Kristian S. Thygesen(4), Didier Blanchard(4), Torben R. Jensen(4), Alexis Grimaud(4), Karsten W. Jacobsen(3), Thomas Bligaard(3), Ping Chen(3), Peter Ngene(3), Shin‐ichi Orimo(3), Reza Younesi(3), Patrik Johansson(3)