Record link: 
http://hdl.handle.net/20.500.12708/222859
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Title: 
ML-Prediction of Adsorption and Surface Reaction Energies
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Citation: 
Comas-Vives, A. (2025, September 4). ML-Prediction of Adsorption and Surface Reaction Energies [Conference Presentation]. EuropaCat 2025, Trondheim, Norway.
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Publication Type: 
Presentation - Conference Presentation
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Language: 
English
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Authors: 
Comas-Vives, Aleix 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
4-Sep-2025
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Event name: 
EuropaCat 2025 
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Event date: 
31-Aug-2025 - 5-Sep-2025
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Event place: 
Trondheim, Norway
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Keywords: 
Machine Learning; Adsorption Energies; Reaction Energies; Bimetallic Alloys; Descriptors
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Project title: 
Generatives Design von Oxiden als CO2-Hydrierungskatalysatoren: PAT7199323 (FWF - Österr. Wissenschaftsfonds) 
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Research Areas: 
Quantum Modeling and Simulation: 50%
Computational Materials Science: 50%
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Science Branch: 
1040 - Chemie: 75%
1030 - Physik, Astronomie: 25%
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