Record link: 
http://hdl.handle.net/20.500.12708/223019
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Title: 
Flow-Matching Model as Surrogate for Nudged Elastic Band Search to generate SN2 Transition States
en
Citation: 
Mark, K. A., Kovar, M. P.-P., Galustian, L., & Heid, E. (2025). Flow-Matching Model as Surrogate for Nudged Elastic Band Search to generate SN2 Transition States. In Science Days TCH 2025 Book of Abstracts (pp. 24–24).
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Publication Type: 
Inproceedings - Abstract Book Contribution
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Language: 
English
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Authors: 
Mark, Konstantin Alexander 
Kovar, Maximilian Peter-Paul 
Galustian, Leonard 
Heid, Esther 
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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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Published in: 
Science Days TCH 2025 Book of Abstracts 
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Date (published): 
Jun-2025
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Event name: 
TCH Science Days 2025 
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Event date: 
17-Jun-2025 - 18-Jun-2025
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Event place: 
Wien, Austria
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Number of Pages: 
1
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Keywords: 
Flow Matching; Transition State
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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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Appears in Collections:
Conference Paper

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