Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data
| datacite.relation.isSupplementTo | https://doi.org/10.1021/acs.jpclett.2c00121 | |
| dc.contributor.author | Bernhardt, Marvin P. | |
| dc.contributor.author | Nagata, Yuki | |
| dc.contributor.author | van der Vegt, Nico | |
| dc.date.accessioned | 2022-06-12T15:11:22Z | |
| dc.date.available | 2022-06-12T15:11:22Z | |
| dc.date.created | 2022-04 | |
| dc.date.issued | 2022-06-12 | |
| dc.description | Jupyter notebook file and simulation data and results | de_DE |
| dc.identifier.uri | https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/3493 | |
| dc.language.iso | en | de_DE |
| dc.rights.license | ODC-BY-1.0 (https://opendatacommons.org/licenses/by/1.0/) | |
| dc.subject | molecular dynamics | de_DE |
| dc.subject | ions | de_DE |
| dc.subject | tabulated potential | de_DE |
| dc.subject.classification | 3.13-01 | |
| dc.subject.ddc | 540 | |
| dc.title | Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data | de_DE |
| dc.type | Software | de_DE |
| dc.type | Interactive Resource | de_DE |
| dc.type | Model | de_DE |
| dc.type | Workflow | de_DE |
| dcterms.accessRights | openAccess | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | 0000-0001-9727-6641 | |
| 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 | B01 van der Vegt | |
| tuda.unit | TUDa |