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dc.contributor.authorBernhardt, Marvin P.
dc.contributor.authorNagata, Yuki
dc.contributor.authorvan der Vegt, Nico
dc.date.accessioned2022-06-12T15:11:22Z
dc.date.available2022-06-12T15:11:22Z
dc.date.issued2022-04
dc.identifier.urihttps://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/3493
dc.descriptionJupyter notebook file and simulation data and resultsde_DE
dc.language.isoende_DE
dc.relationIsSupplementTo;DOI;https://doi.org/10.1021/acs.jpclett.2c00121
dc.rightsOpen Data Commons Attribution License (ODC-By) v1.0
dc.rights.urihttps://opendatacommons.org/licenses/by/1.0/
dc.subjectmolecular dynamicsde_DE
dc.subjectionsde_DE
dc.subjecttabulated potentialde_DE
dc.subject.classification323-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemiede_DE
dc.subject.ddc540
dc.titleData of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Datade_DE
dc.typeSoftwarede_DE
dc.typeInteractive Resourcede_DE
dc.typeModelde_DE
dc.typeWorkflowde_DE
tud.projectDFG | TRR146 | B01 van der Vegtde_DE
tud.unitTUDa


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Open Data Commons Attribution License (ODC-By) v1.0
Except where otherwise noted, this item's license is described as Open Data Commons Attribution License (ODC-By) v1.0