Record link: 
http://hdl.handle.net/20.500.12708/223019
-
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). http://hdl.handle.net/20.500.12708/223019
-
Publication Type: 
Inproceedings - Abstract Book Contribution
en
Language: 
English
-
Authors: 
Mark, Konstantin Alexander 
Kovar, Maximilian Peter-Paul 
Galustian, Leonard 
Heid, Esther 
-
Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
E056-23 - Fachbereich Innovative Combinations and Applications of AI and ML (iCAIML) 
-
Published in: 
Science Days TCH 2025 Book of Abstracts 
-
Date (published): 
Jun-2025
-
Event name: 
TCH Science Days 2025 
en
Event date: 
17-Jun-2025 - 18-Jun-2025
-
Event place: 
Wien, Austria
-
Number of Pages: 
1
-
Keywords: 
Flow Matching; Transition State
en
Research Areas: 
Modeling and Simulation: 50%
Computational Materials Science: 50%
-
Science Branch: 
1040 - Chemie: 100%
-
Appears in Collections:
Conference Paper

Show full item record

Page view(s)

79
checked on Dec 23, 2025

Download(s)

7
checked on Dec 23, 2025

Google ScholarTM

Check