Record link: 
http://hdl.handle.net/20.500.12708/208746
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Title: 
From data to chemistry: machine learning reveals reaction coordinates and causality in supramolecular transition-metal catalysis
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Citation: 
Podewitz, M. (2024, October 8). From data to chemistry: machine learning reveals reaction coordinates and causality in supramolecular transition-metal catalysis [Presentation]. CECAM Workshop “Advances in reactivity simulations under operando conditions,” Rome, Italy.
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Publication Type: 
Presentation - Presentation
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Language: 
English
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Authors: 
Podewitz, Maren 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
8-Oct-2024
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Event name: 
CECAM Workshop "Advances in reactivity simulations under operando conditions" 
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Event date: 
7-Oct-2024 - 9-Oct-2024
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Event place: 
Rome, Italy
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Keywords: 
Computational catalysis
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Research Areas: 
Materials Characterization: 30%
Modeling and Simulation: 30%
Computational Materials Science: 40%
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Science Branch: 
1040 - Chemie: 100%
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