Reaction network for solids - datasets and results.
收藏DataCite Commons2024-10-14 更新2024-07-13 收录
下载链接:
https://data.dtu.dk/articles/dataset/Reaction_network_for_solids_-_datasets_and_results_/25897420/1
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资源简介:
This data repository was created by Rasmus Fromsejer (Technical University of Denmark) to supplement the research paper "Accurate Formation Enthalpies of Solids Using Reaction Networks" by Rasmus Fromsejer, Bjørn Maribo-Mogensen, Georgios Kontogeorgis and Xiaodong Liang in npj computational materials.<br>The data repository consists of:a directory with results and databases in .csv format excluding detailed information about the reactions used in the reaction network predictions (.csv/)a directory with the results including detailed information about the reactions used in the reaction network predictions in gzipped .pkl format including detailed information about the reactions used in the reaction network predictions (.pkl/).<br>Refer to the READMEs in the aforementioned directories for detailed information about the directories, files and the file contents.
提供机构:
Technical University of Denmark
创建时间:
2024-07-10



