Surface phase diagrams from nested sampling - raw calculation data
收藏DataCite Commons2024-01-19 更新2024-07-13 收录
下载链接：
https://data.library.wustl.edu/record/103650
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资源简介：
This dataset contains raw input and output of calculations presented in the manuscript "Surface phase diagrams from nested sampling" by Mingrui Yang, Livia B. Pártay & Robert B. Wexler, https://arxiv.org/abs/2308.08509. The input and checkpoint trajectories can be used to reproduce the published results, or resume the calculations. The Python scripts used to analyze the output and to produce the figures are also included.
提供机构：
Washington University in St. Louis
创建时间：
2024-01-19
