reposiTUm: Ab-Initio Derived Force Fields for the Prediction of Surface Reconstructions of Al₂O₃(0001)

Record link:

http://hdl.handle.net/20.500.12708/188651

Title:

Ab-Initio Derived Force Fields for the Prediction of Surface Reconstructions of Al₂O₃(0001)

Citation:

Conti, A., Glatzer, S., Hütner, J. I., Kugler, D., Balajka, J., Mittendorfer, F., Schmid, M., & Diebold, U. (2023, September 25). Ab-Initio Derived Force Fields for the Prediction of Surface Reconstructions of Al₂O₃(0001) [Poster Presentation]. Joint TACO-NanoCat Conference 2023 : TAming COmplexity in Materials: Synergies between Experiment and Modelling, Wien, Austria. http://hdl.handle.net/20.500.12708/188651

Publication Type:

Presentation - Poster Presentation

Language:

English

Authors:

Conti, Andrea
Glatzer, Simon
Hütner, Johanna Irina
Kugler, David
Balajka, Jan
Mittendorfer, Florian
Schmid, Michael
Diebold, Ulrike

Organisational Unit:

E134-05 - Forschungsbereich Surface Physics
E134-01 - Forschungsbereich Applied and Computational Physics

Date (published):

25-Sep-2023

Event name:

Joint TACO-NanoCat Conference 2023 : TAming COmplexity in Materials: Synergies between Experiment and Modelling

Event date:

24-Sep-2023 - 27-Sep-2023

Event place:

Wien, Austria

Keywords:

Aluminum Oxide; Alumina; Surface Reconstruction; Machine-Learning Force Fields; DFT; MD; Simulated Annealing; PBE; metaGGA r2SCAN-D3; AFM simulations; Probe Particle Model; CuOx tip

Link (external):

https://sfb-taco.at/taco-conference-2023/
https://sfb-taco.at/wp-content/uploads/2023/09/Book-of-Abstracts.pdf

Research Areas:

Surfaces and Interfaces: 100%

Science Branch:

1030 - Physik, Astronomie: 100%

Appears in Collections:

Presentation

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