Transferable Local Density-Dependent Friction in tert-Butanol/Water Mixtures
| datacite.relation.isSupplementTo | https://doi.org/10.1063/5.0205020 | |
| dc.contributor.author | Mathes, Moritz | |
| dc.contributor.author | Klippenstein, Viktor | |
| dc.contributor.author | van der Vegt, Nico | |
| dc.date.accessioned | 2024-04-03T14:45:21Z | |
| dc.date.available | 2024-04-03T14:45:21Z | |
| dc.date.created | 2024 | |
| dc.date.issued | 2024-04-03 | |
| dc.description | This repository contains the data of the publication: 1) simulation data, models 2) local density-dependent Langevin thermostat for LAMMPS 3) analysis scripts 4) figures (jupyter notebooks) | de_DE |
| dc.identifier.uri | https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/4204 | |
| dc.identifier.uri | https://doi.org/10.48328/tudatalib-1405 | |
| dc.rights.license | CC-BY-4.0 (https://creativecommons.org/licenses/by/4.0) | |
| dc.subject.classification | 3.13-01 | |
| dc.subject.ddc | 540 | |
| dc.title | Transferable Local Density-Dependent Friction in tert-Butanol/Water Mixtures | de_DE |
| dc.type | Dataset | de_DE |
| dc.type | Model | de_DE |
| dcterms.accessRights | openAccess | |
| person.identifier.orcid | 0009-0004-5050-7755 | |
| person.identifier.orcid | 0000-0002-4553-9881 | |
| person.identifier.orcid | 0000-0003-2880-6383 | |
| tuda.history.classification | Version=2020-2024;323-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie | |
| tuda.project | DFG | TRR146 | A02 van der Vegt | |
| tuda.unit | TUDa |