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

Thumbnail
View / Open Files
Authors
  Cox, Stephen
Atherton, Dominic
  Michaelides, Angelos
Publication Date
2022-04-14
Type
Dataset
Metadata
Show full item record
Citation
Cox, S., Atherton, D., & Michaelides, A. (2022). Research Data supporting "Can molecular simulations reliably compare homogeneous and heterogeneous ice nucleation?" [Dataset]. https://doi.org/10.17863/CAM.80092
Description
Data, analysis scripts, and input files for the simulations
Format
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
Relationships
Publication Reference: https://doi.org/10.1063/5.0085750https://www.repository.cam.ac.uk/handle/1810/336486
Sponsorship
Royal Society University Research Fellowship (URF\R1\211144)
Funder references
Royal Society (URF\R1\211144)
Identifiers
This record's DOI: https://doi.org/10.17863/CAM.80092
Rights
Attribution 4.0 International (CC BY 4.0)
Licence URL: https://creativecommons.org/licenses/by/4.0/
Statistics


Total file downloads (since January 2020). For more information on metrics see the IRUS guide.

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)