Data · dataset · 2024
Simulation data for 'Semi-Analytical Integration in Molecular Dynamics'
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.35097/tapvjbosobvylweh
Implementation and simulation data for the dissertation with the title 'Semi-Analytical Integration in Molecular Dynamics'.
Description
The 'Implementation' folder contains the implementations of the leapfrog chebychev and the trigonometric integrator in LAMMPS. The code only works when build with LAMMPS.
For a detailed discription of the functionalities see Chapter 6 of the dissertation 'Semi-Analytical Integration in Molecular Dynamics'. The Simulation folder contains the input files for each simulation presented in the dissertation. There is a folder for each simulation with a README file specifying the usage.
Links
Where it is published
- DOI doi.org/10.35097/tapvjbosobvylweh ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Mathematics & Statistics · Mathematics & Statistics
- Inferred from text
- Applied computing 69% · Simulation 75%
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.35097/TAPVJBosoBvyLwEh | 13 d ago | JSON v1 |
| RADAR4Memory | 10.35097/TAPVJBosoBvyLwEh | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:group:4601 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (69%) |
| concepts[field].local:field:computer-science-ai | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[method].local:method:simulation | enrichment · radar service eu de | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |