Publications per year
Publications 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):
Fingerprint
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
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
-
Mohammad Amin Akhound
- Department of Physics - Research Assistant
- Computational Atomic-scale Materials Design
Person: VIP
-
Lone Jensen Coe
- Department of Physics - Project Coordinator
- Computational Atomic-scale Materials Design
Person: VIP
Publications
-
Ab Initio Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments
Svendsen, M. K., Thygesen, K. S., Rubio, A. & Flick, J., 2024, In: Journal of Chemical Theory and Computation. 20, 2, p. 926–936Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile56 Downloads (Pure) -
Ab initio property characterisation of thousands of previously unexplored 2D materials
Lyngby, P. & Thygesen, K. S., 2024, In: 2D materials. 11, 3, 13 p., 035030.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile12 Downloads (Pure) -
Beam induced heating in electron microscopy modeled with machine learning interatomic potentials
Nuñez Valencia, C., Lomholdt, W. B., Leth Larsen, M. H., Hansen, T. W. & Schiøtz, J., 2024, In: Nanoscale. 16, p. 5750-5759Research output: Contribution to journal › Journal article › Research › peer-review
-
Theoretical investigations on electrochemical oxidation reactions
Giese, P. (PhD Student), Jacobsen, K. W. (Main Supervisor) & Kastlunger, G. (Supervisor)
01/05/2024 → 30/04/2027
Project: PhD
-
Atomistic Modeling of Electrocatalysis toward Complex Products
Wuttke, A. (PhD Student), Jacobsen, K. W. (Main Supervisor) & Bagger, A. T. (Supervisor)
01/02/2024 → 31/01/2027
Project: PhD
-
Effective Characterization of Nanoscale Airborne Particles
Zhang, Y. (PhD Student), Bastos da Silva Fanta, A. (Main Supervisor), Schiøtz, J. (Supervisor) & Ånes, H. W. (Supervisor)
01/11/2023 → 31/10/2026
Project: PhD
Activities
-
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
-
Low-temperature spectroscopy of single-photon emitters in irradiation-engineered 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)
2 Aug 2022Activity: Talks and presentations › Conference presentations
File -
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
File