Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement

DOI

Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement

This data respository contains software code for an implementation of the Wang-Landau (WL) method in LAMMPS, code to "stitch" together free energy profiles from WL runs of sub-spaces of the phase space, simulation input files for reproducing the simulations of the accompanying publication and the resulting density of states data for different systems with conducting/inert confinement and bulk.

numpy, 1.26.4

scipy, 1.11.4

lammps, patch release 22 Dec. 2022

wang_landau_patch, provided here

matplotlib, 3.6.3

jinja2, 3.1.2

jax, 0.4.30

pint, 0.24.1

More information can be found in the README.md.

Identifier
DOI https://doi.org/10.18419/DARUS-5037
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-5037
Provenance
Creator Stärk, Philipp ORCID logo; Schlaich, Alexander (ORCID: 0000-0002-4250-363X)
Publisher DaRUS
Contributor Schlaich, Alexander
Publication Year 2025
Funding Reference DFG EXC 2075 - 390740016
Rights info:eu-repo/semantics/openAccess
OpenAccess true
Contact Schlaich, Alexander (Hamburg University of Technology)
Representation
Resource Type Dataset
Format text/x-python; text/x-fixed-field; text/csv; text/tab-separated-values; application/octet-stream; text/x-patch; text/markdown; text/plain; application/x-sh
Size 31864; 6711; 6703; 8182; 6675; 6708; 6704; 8180; 8175; 8179; 8925; 8177; 8178; 10425; 8211; 8205; 18739; 18737; 14181; 14178; 14110; 14175; 8550; 8400; 9675; 20175; 36893; 5475; 36909; 6891; 7479; 7437; 7500; 7206; 6975; 7143; 7080; 7017; 100; 125; 1873; 1770; 1130; 112373; 451; 401; 1109; 156; 466; 688; 1929; 1901
Version 1.0
Discipline Natural Sciences; Physics