DC Field
Value
Language
dc.contributor.author
Mark, Konstantin Alexander
-
dc.contributor.author
Kovar, Maximilian Peter-Paul
-
dc.contributor.author
Galustian, Leonard
-
dc.contributor.author
Heid, Esther
-
dc.date.accessioned
2025-12-22T11:28:23Z
-
dc.date.available
2025-12-22T11:28:23Z
-
dc.date.issued
2025-06
-
dc.identifier.citation
<div class="csl-bib-body"> <div class="csl-entry">Mark, K. A., Kovar, M. P.-P., Galustian, L., &#38; Heid, E. (2025). Flow-Matching Model as Surrogate for Nudged Elastic Band Search to generate SN2 Transition States. In <i>Science Days TCH 2025 Book of Abstracts</i> (pp. 24–24).</div> </div>
-
dc.identifier.uri
http://hdl.handle.net/20.500.12708/223019
-
dc.language.iso
en
-
dc.subject
Flow Matching
en
dc.subject
Transition State
en
dc.title
Flow-Matching Model as Surrogate for Nudged Elastic Band Search to generate SN2 Transition States
en
dc.type
Inproceedings
en
dc.type
Konferenzbeitrag
de
dc.contributor.affiliation
TU Wien, Austria
-
dc.description.startpage
24
-
dc.description.endpage
24
-
dc.type.category
Abstract Book Contribution
-
tuw.booktitle
Science Days TCH 2025 Book of Abstracts
-
tuw.publication.invited
invited
-
tuw.researchTopic.id
C6
-
tuw.researchTopic.id
C1
-
tuw.researchTopic.name
Modeling and Simulation
-
tuw.researchTopic.name
Computational Materials Science
-
tuw.researchTopic.value
50
-
tuw.researchTopic.value
50
-
tuw.publication.orgunit
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
tuw.publication.orgunit
E056-23 - Fachbereich Innovative Combinations and Applications of AI and ML (iCAIML)
-
dc.description.numberOfPages
1
-
tuw.author.orcid
0009-0009-2321-1656
-
tuw.author.orcid
0000-0002-8404-6596
-
tuw.event.name
TCH Science Days 2025
en
tuw.event.startdate
17-06-2025
-
tuw.event.enddate
18-06-2025
-
tuw.event.online
On Site
-
tuw.event.type
Event for scientific audience
-
tuw.event.place
Wien
-
tuw.event.country
AT
-
tuw.event.presenter
Mark, Konstantin Alexander
-
tuw.event.track
Single Track
-
wb.sciencebranch
Chemie
-
wb.sciencebranch.oefos
1040
-
wb.sciencebranch.value
100
-
item.openairetype
conference paper
-
item.openairecristype
http://purl.org/coar/resource_type/c_5794
-
item.cerifentitytype
Publications
-
item.languageiso639-1
en
-
item.grantfulltext
none
-
item.fulltext
no Fulltext
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.dept
TU Wien, Austria
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.orcid
0000-0002-8404-6596
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
crisitem.author.parentorg
E165-03 - Forschungsbereich Theoretische Chemie
-
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