Data · dataset · 2026
Data for "Using machine-learned force fields for describing heat-transport related quantities in AlGaN and derived materials"
Listed in TU Graz Repository
Description
Data for the manuscript: "Using machine-learned force fields for describing heat-transport related quantities in AlGaN and derived materials" FFP - all data regarding MTPs DFT - all DFT-related data convergence_tests - data showing the convergence of our results for different properties configurations - all training data configurations raman_data - some raman results also published in the SI of the paper
Links
Where it is published
- TU Graz Repository record repository.tugraz.at/records/qxq8c-5hw79 ↗
landing page · from repository tugraz at
- DOI doi.org/10.3217/qxq8c-5hw79 ↗
DOI / persistent id · from repository tugraz at
Catalogue records · 1
- InvenioRDM API repository.tugraz.at/api/records/qxq8c-5hw79 ↗
metadata API · from repository tugraz at
Topics
- Stated by source
- MTP; thermal transport; thermal conductivity; machine-learning; force fields; phonon; AlN; GaN; AlGaN
- From keywords
- Engineering
- Inferred from text
- Density functional theory 65% · Nanotechnology 73%
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TU Graz Repository | qxq8c-5hw79 | 2 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | |
| concepts[field].anzsrc:group:4018 | enrichment · repository tugraz at | taxonomy-embedding@1.1.0 | title+keywords+description (73%) |
| concepts[field].local:field:engineering | mapping · repository tugraz at | connector:repository_tugraz_at@1.0.0 | |
| concepts[method].local:method:dft | enrichment · repository tugraz at | keyword-concept-rules@1.0.0 | title+description (65%) |
| concepts[topic].invenio_subject:repository_tugraz_at:mtp-thermal-transport-thermal-conductivity-machine-learning-force-fields-phonon-aln-gan-algan | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | |
| description | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | /metadata/description |
| license | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | |
| publication_date | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | |
| title | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 | /metadata/title |
| updated_date | source · repository tugraz at | connector:repository_tugraz_at@1.0.0 |