Data of the publication: Application of the 2PT model to understanding entropy change in molecular coarse-graining
| datacite.relation.isSupplementTo | https://doi.org/10.1080/1539445X.2020.1737118 | |
| dc.contributor.author | Bernhardt, Marvin | |
| dc.contributor.author | Dallavalle, Marco | |
| dc.contributor.author | van der Vegt, Nico F. A. | |
| dc.date.accessioned | 2021-06-08T13:07:24Z | |
| dc.date.available | 2021-06-08T13:07:24Z | |
| dc.date.created | 2020 | |
| dc.date.issued | 2021-06-08 | |
| dc.description | Jupyter notebook files, tabulated potentials, simulation files, and density of states for the publication. | en_US |
| dc.identifier.uri | https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/2788 | |
| dc.language.iso | en | en_US |
| dc.rights.license | ODC-BY-1.0 (https://opendatacommons.org/licenses/by/1.0/) | |
| dc.subject | coarse-graining | en_US |
| dc.subject | molecular dynamics | en_US |
| dc.subject | tabulated potential | en_US |
| dc.subject | 2pt method | en_US |
| dc.subject | entropy | en_US |
| dc.subject.classification | 3.13-01 | |
| dc.subject.ddc | 540 | |
| dc.title | Data of the publication: Application of the 2PT model to understanding entropy change in molecular coarse-graining | en_US |
| dc.type | Software | en_US |
| dc.type | Interactive Resource | en_US |
| dc.type | Model | en_US |
| dc.type | Workflow | en_US |
| dcterms.accessRights | openAccess | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| tuda.history.classification | Version=2020-2024;323-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie | |
| tuda.project | DFG | TRR146 | B01 van der Vegt | |
| tuda.unit | TUDa |
Files
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| Name | Description | Size | Format | |
|---|---|---|---|---|
| cg2pt.zip | 11.99 MB | ZIP-Archivdateien |