Record link: 
http://hdl.handle.net/20.500.12708/222339
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Title: 
Deep Learning for Reaction Barrier Height Prediction
en
Citation: 
De Landsheere, J., & Galustian, L. (2025, April 1). Deep Learning for Reaction Barrier Height Prediction [Conference Presentation]. 6. FemChem Scientific Workshop 2025, Wien, Austria.
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Publication Type: 
Presentation - Conference Presentation
en
Language: 
English
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Authors: 
De Landsheere, Jasper 
Galustian, Leonard 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
E056-23 - Fachbereich Innovative Combinations and Applications of AI and ML (iCAIML) 
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Date (published): 
1-Apr-2025
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Event name: 
6. FemChem Scientific Workshop 2025 
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Event date: 
1-Apr-2025
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Event place: 
Wien, Austria
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Keywords: 
Machine Learning; Reaction Barrier Height; Graph Neural Networds
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Research Areas: 
Modeling and Simulation: 50%
Computational Materials Science: 50%
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Science Branch: 
1040 - Chemie: 100%
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