Datasets with uncertainty quantification from DFT, MD, and experiments and their rescaled uncertainties after Bayesian automated weighting

Name: Datasets with uncertainty quantification from DFT, MD, and experiments and their rescaled uncertainties after Bayesian automated weighting
Creator: Materials Data Facility
Published: 2022-02-24T15:48:37+08:00

DataCite Commons2024-02-26 更新2025-04-15 收录

材料热物性

不确定性量化

数据链接：

https://www.materialsdatafacility.org/detail/gabriel_aluminum_bayesian_weighted_dft_md_experiments_cph_v1.1 数据链接链接失效反馈

官方服务：

资源简介：

Excel spreadsheet contains sub-sheets of 1. the raw DFT, MD, and Experimental datasets named according to the convention adopted in https://doi.org/10.1016/j.mtla.2021.101216 2. the mean rescaled uncertainty of each heat capacity dataset of the solid and liquid phase of aluminum (Cp_Solid and Cp_Liquid) 3. the mean rescaled uncertainty of each heat capacity dataset of the solid and liquid phase of aluminum (H_Solid and H_Liquid)

提供机构：

Materials Data Facility

创建时间：

2022-02-24