Research output per year
Research output 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 Research ID A-9419-2011 or ORCID 0000-0002-1484-0284
Active Research Projects:
- 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” (2020-2022)
- H2020-EIC-FETPROACT “AMAPOLA: A Marketable Polymer based Al-S battery” (2020-2022)
- Special Competence Initiative “AiMade: Autonomous Materials Discovery” (2018-2022)
- 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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Research output
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A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030+
Amici, J., Asinari, P., Ayerbe, E., Barboux, P., Bayle‐Guillemaud, P., Behm, R. J., Berecibar, M., Berg, E., Bhowmik, A., Bodoardo, S., Castelli, I. E., Cekic‐Laskovic, I., Christensen, R., Clark, S., Diehm, R., Dominko, R., Fichtner, M., Franco, A. A., Grimaud, A., Guillet, N., & 29 others, 2022, In: Advanced Energy Materials. 12, 17, 42 p., 2102785.Research output: Contribution to journal › Review › peer-review
Open AccessFile20 Downloads (Pure) -
Artificial Intelligence Applied to Battery Research: Hype or Reality?
Lombardo, T., Duquesnoy, M., El-Bouysidy, H., Årén, F., Gallo-Bueno, A., Jørgensen, P. B., Bhowmik, A., Demortière, A., Ayerbe, E., Alcaide, F., Reynaud, M., Carrasco, J., Grimaud, A., Zhang, C., Vegge, T., Johansson, P. & Franco, A. A., 2022, In: Chemical Reviews. 122, p. 10899–10969 71 p.Research output: Contribution to journal › Review › peer-review
Open AccessFile26 Downloads (Pure) -
Balanced nitrogen and hydrogen chemisorption by [RuH6] catalytic center favors low-temperature NH3 synthesis
Pan, J., Wang, Q., Guo, J., Hansen, H. A., Chen, P. & Vegge, T., 2022, In: Cell Reports Physical Science. 3, 7, 13 p., 100970.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile11 Downloads (Pure) -
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks
Busk, J., Jørgensen, P. B., Bhowmik, A., Schmidt, M. N., Winther, O. & Vegge, T., 2022, In: Machine Learning: Science and Technology. 3, 1, 13 p., 015012.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile202 Downloads (Pure) -
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT
Nandi, S., Busk, J., Jørgensen, P. B., Vegge, T. & Bhowmik, A., 2022, In: Journal of Chemical Information and Modeling. 62, 19, p. 4727-4735 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Autonomous Synthesis Robotics for Accelerated Discovery of Sustainable Catalysts and Bettery Materials
Fisker-Bødker, N., Vegge, T., Chang, J. H., Kiebach, W. & Ravn, O.
01/02/2022 → 31/01/2025
Project: PhD
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Autonomous Discovery of Near-Room Temperature Oxygen Conductors
Morin-Martinez, A. A., Castelli, I. E., Esposito, V. & Vegge, T.
15/01/2022 → 14/01/2025
Project: PhD
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Machine Learning Models for All-Atom, Long Time-Scale Simulations of Enzymatic Catalysts
Hastrup, B. A., Vegge, T. & Bhowmik, A.
01/10/2021 → 30/11/2024
Project: PhD
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Hierarchical latent-space models for battery interface dynamics
Norwood, S. W., Vegge, T. & Bhowmik, A.
01/10/2021 → 30/09/2024
Project: PhD
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Rational Design of High Entropy Oxides for Protonic Conductive Fuel Cells
Sjølin, B. H., Castelli, I. E. & Vegge, T.
01/10/2021 → 30/09/2024
Project: PhD
Activities
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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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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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Computational Design of Materials for Electrochemical Energy Conversion and Storage
Tejs Vegge (Invited speaker)
21 Feb 2016 → 25 Feb 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
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