Publications per year
Publications per year
Personal profile
Other information
Language Skills:English
German
Research areas
We develop first-principles methods for the description of ground- and excited state properties of materials and use them to model and design materials for application within sustainable energy (photo-catalysis and photovoltaics) and nano (opto)-electronics.
We have activities within the following areas:
- Computational materials discovery including Big-Data driven approaches (machine learning, materials databases, etc.)
- Novel 2D materials and van der Waals heterostructures
- Description of quasiparticles in the solid state (plasmons, excitons, …)
- Many-body methods (RPA and beyond) for high-accuracy total energy calculations
- Charge transport and -transfer at metal/molecule interfaces, e.g. molecular electronic devices
- Energy materials including materials for (photo-)catalysis and photovoltaics
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):
Education/Academic qualification
PhD, Technical University of Denmark
2002 → 2005
Physics engineer, Technical University of Denmark
1996 → 2002
External positions
Professor, DTU
2013 → …
Associate professor, DTU
2009 → 2013
Assistant professor, DTU
2006 → 2009
Post doc, Freie Universität Berlin
2005 → 2006
Keywords
- User defined:
- 2D materials
- Energy materials
- Computational materials design
- Density Functional Theory
- Green's function theory
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Collaborations and top research areas from the last five years
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Publications
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Absorption versus adsorption: high-throughput computation of impurities in 2D materials
Davidsson, J., Bertoldo, F., Thygesen, K. S. & Armiento, R., 2023, In: npj 2D Materials and Applications. 7, 1, 7 p., 26.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile27 Downloads (Pure) -
Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin
Fischer, M., Sajid, A., Iles-Smith, J., Hötger, A., Miakota, D. I., Svendsen, M. K., Kastl, C., Canulescu, S., Xiao, S., Wubs, M., Thygesen, K. S., Holleitner, A. W. & Stenger, N., 2023, In: Nanoscale. 2023, 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile12 Downloads (Pure) -
Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 (M = Sr, Ba)
Bigi, C., Pakdel, S., Winiarski, M. J., Orgiani, P., Vobornik, I., Fujii, J., Rossi, G., Polewczyk, V., King, P. D. C., Panaccione, G., Klimczuk, T., Thygesen, K. S. & Mazzola, F., 2023, In: Physical Review B. 108, 7, 7 p., 075148.Research output: Contribution to journal › Journal article › Research › peer-review
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Excitonic Insulators and Superfluidity in Two-Dimensional Bilayers without External Fields
Nilsson, F., Kuisma, M., Pakdel, S. & Thygesen, K. S., 2023, In: Journal of Physical Chemistry Letters. 14, 9, p. 2277-2283Research output: Contribution to journal › Journal article › Research › peer-review
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Exciton superfluidity in two-dimensional heterostructures from first principles: Importance of material-specific screening
Højlund, R., Grovn, E., Pakdel, S., Thygesen, K. S. & Nilsson, F., 2023, In: Physical Review B. 108, 1, 15 p., 014506.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile32 Downloads (Pure)
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Machine learning point defects for quantum technology
Sharma, K., Thygesen, K. S., Jacobsen, K. W. & Rinke, P.
01/03/2023 → 28/02/2026
Project: PhD
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Automated generation of low-energy modelHamiltonians for materials science
Svaneborg, J. K., Thygesen, K. S. & Latini, S.
01/02/2023 → 31/01/2026
Project: PhD
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Machine learning for atomistic materials discovery
Lyngby, P. M., Thygesen, K. S. & Jacobsen, K. W.
01/09/2021 → 26/10/2024
Project: PhD
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Global optimization of atomic structures
Larsen, C., Jacobsen, K. W. & Thygesen, K. S.
01/03/2021 → 29/02/2024
Project: PhD
Activities
- 10 Conference presentations
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Low-temperature spectroscopy of single-photon emitters in irradiation-engineered hexagonal boron nitride
Moritz Fischer (Speaker), Sajid Ali (Other), Alexander Hötger (Other), Jake Iles-Smith (Other), Sanshui Xiao (Other), Kristian Sommer Thygesen (Other), Martijn Wubs (Other), Alexander Holleitner (Other) & Nicolas Leitherer-Stenger (Other)
2 Aug 2022Activity: Talks and presentations › Conference presentations
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Photoluminescence excitation spectroscopy of luminescent centres in hexagonal boron nitride
Moritz Fischer (Speaker), Sajid Ali (Other), Alexander Hötger (Other), Jake Iles-Smith (Other), Sanshui Xiao (Other), Kristian Sommer Thygesen (Other), Martijn Wubs (Other), Alexander Holleitner (Other) & Nicolas Leitherer-Stenger (Other)
30 Nov 2022 → 1 Dec 2022Activity: Talks and presentations › Conference presentations
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A Two-Step Approach Towards the Growth of WS2 Monolayers from Solid Oxide Precursors
Denys Igorevich Miakota (Speaker), Ganesh Ghimire (Other), Rajesh Ulaganathan (Other), Raymond Unocic (Other), David Geohegan (Guest lecturer), Fabian Felix Bertoldo (Other), Kristian Sommer Thygesen (Other) & Stela Canulescu (Panel member)
9 Feb 2022 → 11 Feb 2022Activity: Talks and presentations › Conference presentations
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A potential approach to grow van der Waals heterostructures based on pulsed laser deposition of solid oxide precursors for thin film photovoltaics
Denys Igorevich Miakota (Speaker), Ganesh Ghimire (Other), Rajesh Ulaganathan (Other), Raymond Unocic (Other), David Geohegan (Guest lecturer), Sara Lena Josefin Engberg (Other), Fabian Felix Bertoldo (Other), Kristian Sommer Thygesen (Other) & Stela Canulescu (Other)
30 May 2022 → 3 Jun 2022Activity: Talks and presentations › Conference presentations
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Photoluminescence excitation spectroscopy of luminescent centres in hexagonal boron nitride
Moritz Fischer (Speaker), Sajid Ali (Other), Alexander Hötger (Other), Jake Iles-Smith (Other), Sanshui Xiao (Other), Kristian Sommer Thygesen (Other), Martijn Wubs (Other), Alexander Holleitner (Other) & Nicolas Leitherer-Stenger (Other)
7 Jun 2022 → 9 Jun 2022Activity: Talks and presentations › Conference presentations
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