Publications per year
Publications per year
Personal profile
Profile
Head of Section for Autonomous Materials Discovery (AMD)
Main Research Areas: Autonomous materials discovery, Integrated computational and experimental design and characterization of novel materials for energy conversion and storage:
- Accelerated computational, experimental and AI-based discovery of clean energy materials
- Autonomous discovery of electrode and electrolyte materials for next-generation batteries
- Materials for electrochemical production and solid state storage of hydrogen and ammonia
- Nanoparticle electrocatalysts for sustainable production of synthetic fuels and chemicals
Publications Overview: see ORCID 0000-0002-1484-0284 or Research ID A-9419-2011
Active Research Projects:
- Pioneer Center “CAPeX: Pioneer Center for Accelerating P2X Materials Discovery” (2023-2036)
- Independent Research Fund Denmark - Green Transition. DFF-3 “DELIGHT: DEep Learning Green cHemical CaTalysis ” (2021-2024)
- H2020-LC-BAT-12 “BIG-MAP: Battery Interface Genome – Materials Acceleration Platform” (2020-2023).
- H2020-LC-BAT-15 “Battery2030Plus” (2020-2023).
- Novo Nordisk Fonden “SURE: Self-correcting Unsupervised Reaction Energies” (2020-2023)
- The Villum Foundations – “V-Sustain: The Villum Center for the Science of Sustainable Fuels and Chemicals” (2016-2024)
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Keywords
- User defined:
- Density Functional Theory (DFT)
- Materials for energy conversion and storage
- Atomic scale kinetics
- Computational materials design
- Electrochemistry and catalysis
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Publications
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Accelerated Workflow for Antiperovskite-based Solid State Electrolytes
Sjølin, B. H., Jørgensen, P. B., Fedrigucci, A., Vegge, T., Bhowmik, A. & Castelli, I. E., 2023, In: Batteries and Supercaps. 6, 6, 10 p., e202300041.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile22 Downloads (Pure) -
Bending the ORR Scaling Relations on Zirconium Oxynitride for Enhanced Oxygen Electrocatalysis
Sinha, S., Vegge, T. & Hansen, H. A., 2023, In: ChemCatChem. 15, 14, 8 p., e202300349.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile4 Downloads (Pure) -
Cation-Coordinated Inner-Sphere CO2 Electroreduction at Au-Water Interfaces
Qin, X., Vegge, T. & Hansen, H. A., 2023, In: Journal of the American Chemical Society. 145, 3, p. 1897-1905 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Degradation of quinone-based flow battery electrolytes: Effect of functional groups on the reaction mechanism
Nandi, S., de Sousa, L. E., Vegge, T. & de Silva, P., 2023, In: Batteries and Supercaps. 6, 2, 10 p., e202200443.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile20 Downloads (Pure) -
Graph neural network interatomic potential ensembles with calibrated aleatoric and epistemic uncertainty on energy and forces
Busk, J., Schmidt, M. N., Winther, O., Vegge, T. & Jørgensen, P. B., 2023, In: Physical Chemistry Chemical Physics. 25, 37, p. 25828-25837 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Chemical-Spatial Differentiable Digital Twin for Atomic-Scale Catalyst Design
Elsborg, J. T., Vegge, T., Bhowmik, A. & Aspuru-Guzik, A.
15/09/2023 → 14/09/2026
Project: PhD
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Development of Data Infrastructure and ScientificWorkflows for the Batteries of the Future
Steensen, S. K., Castelli, I. E. & Vegge, T.
15/11/2022 → 14/11/2025
Project: PhD
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Deep generative models for inverse design of catalysts
Ortega Ochoa, R., Vegge, T. & Bhowmik, A.
15/10/2022 → 14/10/2025
Project: PhD
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Multiscale Modeling of Nanostructured Anodes for Li-ion Batteries
Jeon, J., Castelli, I. E., Chang, J. H. & Vegge, T.
01/10/2022 → 30/09/2025
Project: PhD
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Novel routes to low temperature ammonia synthesis
Ernam, S., Hendriksen, P. V., Sun, X. & Vegge, T.
15/08/2022 → 14/08/2025
Project: PhD
Activities
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Using Cluster Expansion to Characterize Battery Cathode Materials: Implementation and Application
Jinhyun Chang (Speaker), Juan Maria García Lastra (Other) & Tejs Vegge (Other)
19 Jun 2018Activity: Talks and presentations › Conference presentations
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Unraveling the Inner-Workings of Lithium Transition Metal Oxyfluorides Using DFT-Based Cluster Expansion Method
Jinhyun Chang (Speaker), Simon Loftager (Other), Juan Maria García Lastra (Other) & Tejs Vegge (Other)
15 May 2018Activity: Talks and presentations › Conference presentations
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Computational methods for accelerated DFT-based design of energy materials
Tejs Vegge (Invited speaker)
8 Nov 2016Activity: Talks and presentations › Conference presentations
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Computational design of nanoalloys using DFT calculations, genetic algorithms and machine learning
Tejs Vegge (Invited speaker)
10 Oct 2016 → 14 Oct 2016Activity: Talks and presentations › Conference presentations
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Integrated Computational and Experimental Design of Next-Generation Battery Materials
Tejs Vegge (Invited speaker)
1 Jun 2016 → 3 Jun 2016Activity: Talks and presentations › Conference presentations
Prizes
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August-Wilhelm Scheer Visiting Professorship@TUM
Vegge, Tejs (Recipient), 2016
Prize: Prizes, scholarships, distinctions
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Ellen and Hans Hermers Award 2015
Vegge, Tejs (Recipient), 26 Jan 2015
Prize: Prizes, scholarships, distinctions
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Member of the Danish Academy of Technical Sciences (ATV)
Vegge, Tejs (Recipient), May 2014
Prize: Prizes, scholarships, distinctions
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PhD Supervisor the year 2017
Vegge, Tejs (Recipient), 27 Oct 2017
Prize: Prizes, scholarships, distinctions
Press/Media
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Saving the Planet With Supercomputing: Researchers Search for Greener Catalysts, Energy Sources and Batteries
29/11/2018
1 Media contribution
Press/Media: Press / Media
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Nyt gennembrud øger metal-luft-batteriers levetid
09/11/2018
1 Media contribution
Press/Media: Press / Media
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Fremtidens batterier til skibs- og flytransport
09/11/2018
1 Media contribution
Press/Media: Press / Media
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Forsknings- og uddannelsesministeren på besøg hos batteriforskere på DTU
Tejs Vegge, Johan Hjelm, Jakob Kibsgaard & Henrik Madsen
09/10/2018
1 Media contribution
Press/Media: Press / Media