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