Research Data supporting "Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?"
Repository URI
Repository DOI
Change log
Authors
Atherton, Dominic
Description
Data, analysis scripts, and input files for the simulations
Version
Software / Usage instructions
Analysis 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.
Keywords
molecular simulations, ice nucleation, melting point
Publisher
Sponsorship
Royal Society (URF\R1\211144)
Royal Society University Research Fellowship (URF\R1\211144)