Projects per year
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Active
Discovery of Kagome Materials for Magnetic Catalysis
Beck, P. (PhD Student), Castelli, I. E. (Main Supervisor), Hansen, H. A. (Supervisor), Vegge, T. (Supervisor) & Suntivich, J. (Supervisor)
15/10/2024 → 14/10/2027
Project: PhD
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Digitalization of polymer-based battery electrolyte development: accelerating green transition by integrating lab automation, high-throughput materials simulations, and AI.
Tuxen, A. C. (PhD Student), Chang, J. H. (Main Supervisor), Vegge, T. (Supervisor) & Zhang, C. (Supervisor)
01/10/2024 → 30/09/2027
Project: PhD
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Development of data infrastructure and autonomous workflows for energy applications
Pedersen, J. R. (PhD Student), Castelli, I. E. (Main Supervisor) & Vegge, T. (Supervisor)
15/08/2024 → 16/10/2027
Project: PhD
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Self-healing Materials for Photovoltaic Applications
Kortstee, L. T. J. (PhD Student), Castelli, I. E. (Main Supervisor), García Lastra, J. M. (Supervisor), Vegge, T. (Supervisor) & Bekenstein, Y. (Supervisor)
01/01/2024 → 31/12/2026
Project: PhD
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Chemical-Spatial Differentiable Digital Twin for Atomic-Scale Catalyst Design
Elsborg, J. T. (PhD Student), Aspuru-Guzik, A. (Supervisor), Bhowmik, A. (Main Supervisor) & Vegge, T. (Supervisor)
15/09/2023 → 14/09/2026
Project: PhD
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Accelerated discovery of catalytic materials for Power2X using integrated computational, experimental and machine learning workflows
Frost, E. (PhD Student), Vegge, T. (Main Supervisor), Bagger, A. T. (Supervisor), Chang, J. H. (Supervisor) & Winther, K. T. (Supervisor)
01/09/2023 → 31/08/2026
Project: PhD
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In-silico Strategies for Battery Recycling
Jensen, M. E. (PhD Student), Castelli, I. E. (Main Supervisor), García Lastra, J. M. (Supervisor), Vegge, T. (Supervisor) & Lundström, M. (Supervisor)
15/08/2023 → 27/01/2027
Project: PhD
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Development of Data Infrastructure and ScientificWorkflows for the Batteries of the Future
Steensen, S. K. (PhD Student), Castelli, I. E. (Main Supervisor) & Vegge, T. (Supervisor)
15/11/2022 → 14/11/2025
Project: PhD
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Deep generative models for inverse design of catalysts
Ortega Ochoa, R. (PhD Student), Vegge, T. (Main Supervisor) & Bhowmik, A. (Supervisor)
15/10/2022 → 14/10/2025
Project: PhD
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Multiscale Modeling of Nanostructured Anodes for Li-ion Batteries
Jeon, J. (PhD Student), Castelli, I. E. (Main Supervisor), Chang, J. H. (Supervisor) & Vegge, T. (Supervisor)
01/10/2022 → 30/09/2025
Project: PhD
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Novel routes to low temperature ammonia synthesis
Ernam, S. (PhD Student), Hendriksen, P. V. (Main Supervisor), Sun, X. (Supervisor) & Vegge, T. (Supervisor)
15/08/2022 → 14/08/2025
Project: PhD
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Autonomous Synthesis Robotics for Accelerated Discovery of Sustainable Catalysts and Bettery Materials
Fisker-Bødker, N. (PhD Student), Vegge, T. (Main Supervisor), Chang, J. H. (Supervisor), Kiebach, W.-R. (Supervisor) & Ravn, O. (Supervisor)
01/02/2022 → 28/02/2025
Project: PhD
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Hierarchical latent-space models for battery interface dynamics
Norwood, S. W. (PhD Student), Vegge, T. (Main Supervisor) & Bhowmik, A. (Supervisor)
01/10/2021 → 31/08/2025
Project: PhD
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Machine Learning Models for All-Atom, Long Time-Scale Simulations of Enzymatic Catalysts
Hastrup, B. A. (PhD Student), Vegge, T. (Main Supervisor) & Bhowmik, A. (Supervisor)
01/10/2021 → 31/05/2025
Project: PhD
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Mechanical properties of materials
Schiøtz, J. (Project Manager), Jacobsen, K. W. (Project Participant), Vegge, T. (Project Participant), Leffers, T. (Project Participant), Pedersen, O. B. (Project Participant) & Bilde-Sørensen, J. (Project Participant)
01/05/1999 → …
Project: Research
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Metallic nanostructures
Jacobsen, K. W. (Project Manager), Stoltze, P. (Project Participant), Nørskov, J. K. (Project Participant), Schiøtz, J. (Project Participant), Nielsen, O. H. (Project Participant), Vegge, T. (Project Participant), Bahn, S. R. (Project Participant), Lorensen, H. Q. (Project Participant), Bollinger, M. (Project Participant), Besenbacher, F. (Project Participant), Stensgaard, I. (Project Participant) & Laegsgaard, E. (Project Participant)
01/09/1993 → …
Project: Research
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Finished
Autonomous Discovery of Near-Room Temperature Oxygen Conductors
Morin-Martinez, A. A. (PhD Student), Castelli, I. E. (Main Supervisor), Esposito, V. (Supervisor), Vegge, T. (Supervisor), Aschauer, U. J. (Examiner) & Groß, A. (Examiner)
15/01/2022 → 14/01/2025
Project: PhD
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Rational Design of High Entropy Oxides for Protonic Conductive Fuel Cells
Sjølin, B. H. (PhD Student), Castelli, I. E. (Main Supervisor), Vegge, T. (Supervisor), Carrasco, J. (Examiner) & Ghiringhelli, L. (Examiner)
01/10/2021 → 14/01/2025
Project: PhD
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Computational Design of Electrocatalysts for the Oxygen Reduction Reaction
Sinha, S. (PhD Student), Hansen, H. A. (Main Supervisor), Vegge, T. (Supervisor), Calle-Vallejo, F. (Examiner) & Studt, F. (Examiner)
15/11/2020 → 11/03/2024
Project: PhD
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Atomic Scale Simulations of Oxygen Reduction at the Solid-Liquid Interface
Yang, X. (PhD Student), Hansen, H. A. (Main Supervisor), Bhowmik, A. (Supervisor), Vegge, T. (Supervisor), Exner, K. S. (Examiner) & Zhang, C. (Examiner)
01/10/2020 → 11/01/2024
Project: PhD
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Quantum Mechanical Simulations for an Autonomous Discovery of Energy Materials
Zheng, K. (PhD Student), Vegge, T. (Main Supervisor), Castelli, I. E. (Supervisor), Giorgi, G. (Examiner) & Hannu-Pekka, K. (Examiner)
15/09/2020 → 15/07/2024
Project: PhD
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Computational Studies of Hydride Catalysts for COs Reduction
Ai, C. (PhD Student), Hansen, H. A. (Main Supervisor), Vegge, T. (Supervisor), Andersen, M. (Examiner) & Hellman, A. (Examiner)
01/09/2020 → 16/11/2023
Project: PhD
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Machine Learning for Molecular Science
Schreiner, J. M. (PhD Student), Winther, O. (Main Supervisor), Vegge, T. (Supervisor), Boomsma, W. K. (Examiner) & Csanyi, G. (Examiner)
01/09/2020 → 11/03/2024
Project: PhD
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Computational Design of Electrocatalysts for the Carbon dioxide Reduction Reaction
Pedersen, P. (PhD Student), Hansen, H. A. (Main Supervisor), Bligaard, T. (Supervisor), Vegge, T. (Supervisor), Lopez, N. (Examiner) & Skulason, E. (Examiner)
01/08/2020 → 16/11/2023
Project: PhD
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Computational Design of Bimetallic Nanoparticle Catalysts for Bio-Methane Steam Reforming
Han, S. (PhD Student), Reuter, K. (Examiner), Rinke, P. (Examiner), Hansen, H. A. (Main Supervisor) & Vegge, T. (Supervisor)
01/11/2019 → 27/04/2023
Project: PhD
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Computional Studies of Carbon-based Catalysts for the Oxugen Reduction Reaction
Patniboon, T. (PhD Student), Kramm, U. (Examiner), Rossmeisl, J. (Examiner), Hansen, H. A. (Main Supervisor) & Vegge, T. (Supervisor)
15/10/2019 → 27/04/2023
Project: PhD
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Atomic-scale modelling of magnesium batteries
Vincent, S. (PhD Student), Erhart, P. (Examiner), Scanlon, S. (Examiner), García Lastra, J. M. (Main Supervisor), Chang, J. H. (Supervisor) & Vegge, T. (Supervisor)
15/08/2019 → 16/11/2022
Project: PhD
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Accelerating clean emergy materials discovery from second-life of data
Mikkelsen, A. E. G. (PhD Student), Ceriotti, M. (Examiner), Michaelides, A. (Examiner), Bligaard, T. (Examiner), Vegge, T. (Main Supervisor), Castelli, I. E. (Supervisor) & Schiøtz, J. (Supervisor)
01/09/2018 → 30/09/2021
Project: PhD
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Computional design of Perovskite-based Materials for Sustainable Energy Applications
Lan, Z. (PhD Student), Giorgi, G. (Examiner), Lippert, T. (Examiner), Hansen, H. A. (Examiner), Vegge, T. (Main Supervisor) & Castelli, I. E. (Supervisor)
01/09/2018 → 08/11/2021
Project: PhD
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Machine Learning and AB-initio Simulations for Accelerated Materials Discovery
Bölle, F. T. (PhD Student), Hautier, G. (Examiner), Hennig, R. G. (Examiner), Hansen, H. A. (Examiner), Vegge, T. (Main Supervisor), Castelli, I. E. (Supervisor) & Thygesen, K. S. (Supervisor)
Technical University of Denmark
01/02/2018 → 12/04/2021
Project: PhD
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Organic Redox Flow Batteries: Active Materials and Cell Stability
Hoffmeyer, D. (PhD Student), Bentien, A. (Examiner), Toghill, K. (Examiner), Hauch, A. (Examiner), Hjelm, J. (Main Supervisor) & Vegge, T. (Supervisor)
01/01/2018 → 08/11/2021
Project: PhD
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Computational design of electrocatalysts for CO2 reduction
Kildgaard, J. V. (PhD Student), Garcia-Lastra, J. M. (Examiner), Alonso, N. L. (Examiner), Rossmeisl, J. (Examiner), Vegge, T. (Main Supervisor) & Hansen, H. A. (Supervisor)
Eksternt finansieret virksomhed
01/09/2017 → 10/05/2021
Project: PhD
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Theoretical investigations of the sudden death process in metal-air batteries
Tygesen, A. S. (PhD Student), García Lastra, J. M. (Main Supervisor), Vegge, T. (Supervisor), Chang, J. H. (Supervisor), Bligaard, T. (Examiner), Siegel, D. J. (Examiner) & Doublet, M.-L. (Examiner)
Eksternt finansieret virksomhed
01/01/2017 → 09/03/2020
Project: PhD
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Density functional theory based modelling of materials for resistive switching memories
Pedersen, C. S. (PhD Student), Kioupakis, E. (Examiner), Hansen, H. A. (Examiner), García Lastra, J. M. (Main Supervisor), Chang, J. H. (Supervisor), Pryds, N. (Supervisor), Vegge, T. (Supervisor) & García-Fernández, P. (Examiner)
01/01/2017 → 09/11/2020
Project: PhD
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Computational design of catalysts for electroreduction of nitrogen into ammonia
Pan, J. (PhD Student), Hellman, A. (Examiner), Bligaard, T. (Examiner), Honkala, J. K. (Examiner), Vegge, T. (Main Supervisor) & Hansen, H. A. (Supervisor)
Eksternt finansieret virksomhed
01/08/2016 → 30/09/2020
Project: PhD
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Density Functional Theory Studies of Water Electrolysis on Ceria
Wu, T. (PhD Student), Vegge, T. (Main Supervisor), Hansen, H. A. (Supervisor), García Lastra, J. M. (Examiner), Studt, F. (Examiner) & Hermansson, K. G. (Examiner)
Eksternt finansieret virksomhed
01/08/2016 → 30/09/2019
Project: PhD
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Next generation rechargeable batteries: Sustainable and earth-abundant materials
Christensen, M. K. (PhD Student), Norby, P. (Main Supervisor), Hoster, H. E. (Supervisor), Vegge, T. (Supervisor), Blanchard, D. (Examiner), Rausseo, L. C. C. (Examiner) & Ravnsbæk, D. B. (Examiner)
01/12/2015 → 04/03/2019
Project: PhD
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Young investigator Program from Villum Foundation
Mathiesen, N. R. (PhD Student), García Lastra, J. M. (Main Supervisor), Vegge, T. (Supervisor), García-Fernández, P. (Supervisor), Hansen, H. A. (Examiner), Johannes, M. D. (Examiner) & Henkelman, G. (Examiner)
Eksternt finansieret virksomhed
01/05/2015 → 04/03/2019
Project: PhD
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Density Functional Theory Studies of the Oxygen Reduction Reaction on Non-Precious Electrodes
Reda, M. K. (PhD Student), Vegge, T. (Main Supervisor), Hansen, H. A. (Supervisor), Cleemann, L. N. (Examiner), Skulason, E. (Examiner) & Gross, A. (Examiner)
01/04/2015 → 20/06/2018
Project: PhD
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Electrochemical Reduction of CO2 to Sustainable Synthetic Fuels
Bhowmik, A. (PhD Student), Vegge, T. (Main Supervisor), Hansen, H. A. (Supervisor), Norby, P. (Examiner), Skulason, E. (Examiner) & Studt, F. (Examiner)
01/06/2014 → 20/09/2017
Project: PhD
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Computational Design of Electrocatalysts for Sustainable Production of Synthetic Fuels
Christensen, R. (PhD Student), Vegge, T. (Main Supervisor), Hansen, H. A. (Supervisor), Stephens, I. (Examiner), Rossmeisl, J. (Examiner) & Reuter, K. (Examiner)
01/09/2013 → 25/01/2017
Project: PhD
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Computional Investigations of transport mechanisms across battery interfaces
Loftager, S. (PhD Student), Vegge, T. (Main Supervisor), Hjelm, J. (Examiner), Rossmeisl, J. (Examiner), Khalifah, P. (Examiner) & Garcia-Lastra, J. M. (Supervisor)
01/07/2013 → 16/11/2016
Project: PhD
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Modeling of level alignment and charge separation at donor/acceptor interfaces
Ørnsø, K. B. (PhD Student), Thygesen, K. S. (Main Supervisor), Jacobsen, K. W. (Supervisor), Vegge, T. (Examiner), Troisi, A. (Examiner) & Boschloo, G. K. (Examiner)
01/08/2012 → 23/10/2015
Project: PhD
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Computational analysis and design of new materials for lithium-air batteries
Mekonnen, Y. S. (PhD Student), Vegge, T. (Main Supervisor), Hummelshøj, J. S. (Supervisor), Blanchard, D. (Examiner), Rossmeisl, J. (Examiner), Siegel, D. J. (Examiner) & Garcia-Lastra, J. M. (Supervisor)
01/08/2012 → 02/12/2015
Project: PhD
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Shape and activity of nanoparticulate alloys, with special focus on platinum alloys for the oxygen reduction reaction
Vej-Hansen, U. G. (PhD Student), Schiøtz, J. (Main Supervisor), Rossmeisl, J. (Supervisor), Stephens, I. (Supervisor), Vegge, T. (Examiner), Reuter, K. (Examiner) & Curtin, W. A. (Examiner)
Technical University of Denmark
15/07/2012 → 24/02/2016
Project: PhD
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Development of novel electrode-catalyst materials for Li-air battery cathodes
Højberg, J. (PhD Student), Vegge, T. (Main Supervisor), Johansen, K. (Supervisor), Norby, P. (Supervisor), García Lastra, J. M. (Examiner), Hoster, H. E. (Examiner) & Edström, E. K. (Examiner)
01/01/2012 → 01/07/2015
Project: PhD
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Theoretical design of abundant and stable oxygen evolution reaction catalysts
Halck, N. B. (PhD Student), Rossmeisl, J. (Main Supervisor), Vegge, T. (Examiner), Hellman, A. (Examiner) & Dau, H. (Examiner)
01/01/2012 → 19/03/2015
Project: PhD
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Computational Design of New Materials for Ammonia Storage
Jensen, P. B. (PhD Student), Vegge, T. (Main Supervisor), Quaade, U. (Supervisor), Rossmeisl, J. (Examiner), Bligaard, T. (Examiner) & Hammer, B. (Examiner)
15/09/2011 → 17/12/2014
Project: PhD
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In situ characterisation of structure and transport in battery electrolytes and electrodes
Sveinbjörnsson, D. Þ. (PhD Student), Vegge, T. (Main Supervisor), Norby, P. (Supervisor), Hjelm, J. (Examiner), David, W. I. F. (Examiner), Mogensen, M. B. (Supervisor) & Sørby, M. H. (Examiner)
01/01/2011 → 26/02/2014
Project: PhD
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Theoretical investigations of novel materials for nitrogen fixation
Howalt, J. G. (PhD Student), Vegge, T. (Main Supervisor), Holtappels, P. W. (Examiner), Hammer, B. (Examiner), Bligaard, T. (Supervisor) & Hellman, A. (Examiner)
01/09/2010 → 11/12/2013
Project: PhD