Data of the publication: Iterative integral equation methods for structural coarse-graining

datacite.relation.isSupplementTo https://doi.org/10.1063/5.0038633
dc.contributor.author Bernhardt, Marvin
dc.contributor.author Hanke, Martin
dc.contributor.author van der Vegt, Nico
dc.date.accessioned 2021-03-18T09:49:49Z
dc.date.available 2021-03-18T09:49:49Z
dc.date.created 2021-03
dc.date.issued 2021-03-18
dc.description Jupyter notebook files, tabulated potentials, and simulation files for the publication. en_US
dc.identifier.uri https://tudatalib.ulb.tu-darmstadt.de/handle/tudatalib/2662
dc.rights.licenseCC-BY-4.0 (https://creativecommons.org/licenses/by/4.0)
dc.subject molecular dynamics en_US
dc.subject tabulated potential en_US
dc.subject coarse-graining en_US
dc.subject pair potential en_US
dc.subject integral equation theory en_US
dc.subject.classification 3.13-01
dc.subject.ddc 540
dc.title Data of the publication: Iterative integral equation methods for structural 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 0000-0001-8620-452X
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

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ihnc-simulations.ipynb156.18 KBUnknown data format Download
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implicit-ihnc-simulations.ipynb141.81 KBUnknown data format Download
ihnc-implicit.zip54.34 MBZIP-Archivdateien Download

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