Research output per year
Research output per year
Organisation profile
Organisation profile
Research in Computational Atomic-scale Materials Design is all about bridging the gap between the fundamental atomic description of various materials and their practical applications.
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. Our work contributes towards the following SDG(s):
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Dive into the research topics where Computational Atomic-scale Materials Design is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Collaborations and top research areas from the last five years
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Profiles
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Mohammad Amin Akhound
- Department of Physics - Research Assistant
- Computational Atomic-scale Materials Design
Person: VIP
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Lone Jensen Coe
- Department of Physics - Project Coordinator
- Biophysics and Fluids
- Computational Atomic-scale Materials Design
Person: VIP
Research output
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Activating the Basal Plane of 2D Transition Metal Dichalcogenides via High-Entropy Alloying
Akhound, M. A., Jacobsen, K. W. & Thygesen, K. S., 2025, In: Journal of the American Chemical Society. 147, 7, p. 5743-5754Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile5 Downloads (Orbit) -
Beyond the random phase approximation for calculating Curie temperatures in ferromagnets: application to Fe, Ni, Co and monolayer CrI3
Rajeev Pavizhakumari, V., Skovhus, T. & Olsen, T., 2025, In: Journal of Physics Condensed Matter. 37, 11, 16 p., 115806.Research output: Contribution to journal › Journal article › Research › peer-review
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Does charge trapping affect subcritical crack growth behavior of yttria‐stabilized zirconia?
Andričević, P., Johansen, N. F., Erives, R. I., Vasiljević, M., Norby, P., Sørensen, B. F. & Jain, M., 2025, In: Journal of the American Ceramic Society. 108, 4, 13 p., e20295.Research output: Contribution to journal › Journal article › Research › peer-review
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Computational investigations of non-aqueous electrosynthesis
Høholdt, A. H. (PhD Student), Bagger, A. (Main Supervisor) & Jacobsen, K. W. (Supervisor)
15/11/2024 → 14/11/2027
Project: PhD
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First-principles calculations of electronic properties of twodimensional van der Waals heterostructures
Pedersen, M. N. (PhD Student), Thygesen, K. S. (Main Supervisor) & Olsen, T. (Supervisor)
15/10/2024 → 14/10/2027
Project: PhD
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Theoretical investigations on electrochemical oxidation reactions
Giese, P. (PhD Student), Kastlunger, G. (Main Supervisor) & Jacobsen, K. W. (Supervisor)
01/05/2024 → 30/04/2027
Project: PhD
Activities
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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
Miakota, D. I. (Speaker), Ghimire, G. (Other), Ulaganathan, R. (Other), Unocic, R. (Other), Geohegan, D. (Guest lecturer), Engberg, S. L. J. (Other), Bertoldo, F. F. (Other), Thygesen, K. S. (Other) & Canulescu, S. (Other)
30 May 2022 → 3 Jun 2022Activity: Talks and presentations › Conference presentations
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A Two-Step Approach Towards the Growth of WS2 Monolayers from Solid Oxide Precursors
Miakota, D. I. (Speaker), Ghimire, G. (Other), Ulaganathan, R. (Other), Unocic, R. (Other), Geohegan, D. (Guest lecturer), Bertoldo, F. F. (Other), Thygesen, K. S. (Other) & Canulescu, S. (Panel member)
9 Feb 2022 → 11 Feb 2022Activity: Talks and presentations › Conference presentations
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Photoluminescence excitation spectroscopy of luminescent centres in hexagonal boron nitride
Fischer, M. (Speaker), Ali, S. (Other), Hötger, A. (Other), Iles-Smith, J. (Other), Xiao, S. (Other), Thygesen, K. S. (Other), Wubs, M. (Other), Holleitner, A. (Other) & Leitherer-Stenger, N. (Other)
30 Nov 2022 → 1 Dec 2022Activity: Talks and presentations › Conference presentations
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