Research Data supporting "Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?"

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dc.contributor.authorCox, Stephen
dc.contributor.authorAtherton, Dominic
dc.contributor.authorMichaelides, Angelos
dc.date.accessioned2022-04-14T15:24:24Z
dc.date.available2022-04-14T15:24:24Z
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/336097
dc.descriptionData, analysis scripts, and input files for the simulations
dc.description.sponsorshipRoyal Society University Research Fellowship (URF\R1\211144)
dc.formatAnalysis scripts are written in Python. Molecular simulations are performed with LAMMPS (https://www.lammps.org). Some of the simulations require additional source code, available at https://github.com/uccasco/FiniteFields See README.txt in parent directory.
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectmolecular simulations
dc.subjectice nucleation
dc.subjectmelting point
dc.titleResearch Data supporting "Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?"
dc.typeDataset
dc.publisher.departmentDepartment of Chemistry
dc.date.updated2022-01-12T09:58:32Z
dc.identifier.doi10.17863/CAM.80092
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
datacite.contributor.supervisorCox, Stephen James
dcterms.formatPlain text.
dc.contributor.orcidCox, Stephen [0000-0003-2708-8711]
dc.contributor.orcidMichaelides, Angelos [0000-0002-9169-169X]
rioxxterms.typeOther
pubs.funder-project-idRoyal Society (URF\R1\211144)
datacite.issupplementto.doi10.1063/5.0085750
datacite.issupplementto.urlhttps://www.repository.cam.ac.uk/handle/1810/336486
cam.depositDate2022-01-12
pubs.licence-identifierapollo-deposit-licence-2-1
pubs.licence-display-nameApollo Repository Deposit Licence Agreement


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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)