DC Field
Value
Language
dc.contributor.author
Eseroglou, Christoforos
-
dc.contributor.author
Erhard, Linus Carl
-
dc.contributor.author
Comas-Vives, Aleix
-
dc.date.accessioned
2026-04-15T07:35:00Z
-
dc.date.available
2026-04-15T07:35:00Z
-
dc.date.issued
2025
-
dc.identifier.citation
<div class="csl-bib-body"> <div class="csl-entry">Eseroglou, C., Erhard, L. C., &#38; Comas-Vives, A. (2025). Training Machine Learning Interatomic Potentials for CuGa alloys active in CO2 Hydrogenation. In <i>Science Days TCH 2025 Book of Abstracts</i> (pp. 11–11).</div> </div>
-
dc.identifier.uri
http://hdl.handle.net/20.500.12708/227596
-
dc.description.sponsorship
FWF - Österr. Wissenschaftsfonds
-
dc.language.iso
en
-
dc.subject
CO2 Hydrogenation
en
dc.subject
CuGa
en
dc.subject
Active Learning
en
dc.subject
Machine Learning Interatomic Potentials
en
dc.subject
DFT Calculations
en
dc.title
Training Machine Learning Interatomic Potentials for CuGa alloys active in CO2 Hydrogenation
en
dc.type
Inproceedings
en
dc.type
Konferenzbeitrag
de
dc.description.startpage
11
-
dc.description.endpage
11
-
dc.relation.grantno
PAT3175423
-
dc.type.category
Abstract Book Contribution
-
tuw.booktitle
Science Days TCH 2025 Book of Abstracts
-
tuw.project.title
Dynamische Modellierung v. Sites in der heterogenen Katalyze
-
tuw.researchinfrastructure
Vienna Scientific Cluster
-
tuw.researchTopic.id
Q3
-
tuw.researchTopic.id
C1
-
tuw.researchTopic.name
Quantum 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
-
dc.description.numberOfPages
1
-
tuw.author.orcid
0000-0002-7002-1582
-
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
Eseroglou, Christoforos
-
tuw.event.track
Single Track
-
wb.sciencebranch
Chemie
-
wb.sciencebranch
Physik, Astronomie
-
wb.sciencebranch.oefos
1040
-
wb.sciencebranch.oefos
1030
-
wb.sciencebranch.value
75
-
wb.sciencebranch.value
25
-
item.fulltext
no Fulltext
-
item.languageiso639-1
en
-
item.cerifentitytype
Publications
-
item.grantfulltext
none
-
item.openairecristype
http://purl.org/coar/resource_type/c_5794
-
item.openairetype
conference paper
-
crisitem.project.funder
FWF - Österr. Wissenschaftsfonds
-
crisitem.project.grantno
PAT3175423
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.dept
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
-
crisitem.author.orcid
0000-0002-7002-1582
-
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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