Research data supporting Macroscopic surface charges from microscopic simulations
Repository URI
Repository DOI
Change log
Authors
Sayer, Thomas
Description
Contains LAMMPS input files for the simulations described in the paper. There are two directories: "RockSalt" and "Kaolinite" with accompanying README files.
The LAMMPS source code is available: https://lammps.sandia.gov.
Source code (in addition to the main LAMMPS source code) is freely available: https://github.com/uccasco/FiniteFields.
Version
Software / Usage instructions
LAMMPS (https://lammps.sandia.gov) with modifications (https://github.com/uccasco/FiniteFields).
Keywords
electrolytes, liquid/solid interfaces, molecular simulations
Publisher
Sponsorship
EPSRC (EP/P020194; EP/P022561/1; RG84040)
Royal Commission for the Exhibition of 1851