Publications per year
Publications per year
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 Atomic Scale Materials Modelling is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Network
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
Publications
-
Defect-Engineered Cu-Based Nanomaterials for Efficient CO2 Reduction over Ultrawide Potential Window
Wu, Q., Liu, C., Su, X., Yang, Q., Wu, X., Zou, H., Long, B., Fan, X., Liao, Y., Duan, L., Quan, Z. & Luo, S., 2023, In: ACS Nano. 17, p. 402-410 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
-
Degradation of quinone-based flow battery electrolytes: Effect of functional groups on the reaction mechanism
Nandi, S., de Sousa, L. E., Vegge, T. & de Silva, P., 2023, (Accepted/In press) In: Batteries and Supercaps.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile3 Downloads (Pure) -
Enriching Surface-Accessible CO2 in the Zero-Gap Anion-Exchange-Membrane-Based CO2 Electrolyzer
Xu, Q., Xu, A., Garg, S., Moss, A., Chorkendorff, I., Bligaard, T. & Seger, B., 2023, In: Angewandte Chemie International Edition. 62, 3, 9 p., e202214383.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile7 Downloads (Pure)
-
PALSfit: Development of software for the analysis of positron lifetime spectra
Eldrup, M. M., Kirkegaard, P. & Olsen, J. V.
01/01/2007 → …
Project: Research
-
Deep Learning Enhanced Density Functional Theory (DFT) Simulation for Millions of Atoms
01/11/2018 → 31/08/2021
Project: Research
-
TES: Thermal Energy Storage - Lab-Scale prototype
Blanchard, D.
01/01/2016 → 01/01/2018
Project: Research
Activities
-
Ab initio Molecular Dynamics Studies of CO2 Reduction Selectivity at a Au(110)-Water Interface
Heine Anton Hansen (Speaker)
15 Aug 2022 → 19 Aug 2022Activity: Talks and presentations › Conference presentations
-
Simulating O2 Activation at the Liquid Water-Pt Interface
Heine Anton Hansen (Speaker)
26 Jun 2019Activity: Talks and presentations › Conference presentations
-
Combining constrained DFT and Marcus Theory to assess polaronic charge transport
Juan Maria García Lastra (Guest lecturer)
23 Jul 2018 → 27 Jul 2018Activity: Talks and presentations › Conference presentations
Prizes
-
August-Wilhelm Scheer Visiting Professorship@TUM
Vegge, Tejs (Recipient), 2016
Prize: Prizes, scholarships, distinctions
-
Ellen and Hans Hermers Award 2015
Vegge, Tejs (Recipient), 26 Jan 2015
Prize: Prizes, scholarships, distinctions
-
Member of the Danish Academy of Technical Sciences (ATV)
Vegge, Tejs (Recipient), May 2014
Prize: Prizes, scholarships, distinctions
Press / Media
-
-
-
Saving the Planet With Supercomputing: Researchers Search for Greener Catalysts, Energy Sources and Batteries
29/11/2018
1 Media contribution
Press/Media: Press / Media