Computational Materials Science, Volume 244, 2024, 113232, ISSN 0927-0256, https://doi.org/10.1016/j.commatsci.2024.113232
These are raw files. Some parameters (e.g. simulation run time) may need to be adjusted to replicate the published paper.
These are raw files. Some parameters (e.g. simulation run time) may need to be adjusted to replicate the published paper.