Dataset and NNP-files for "Room temperature structure and energetics of water-hydroxyl layers on Pt(111)"
收藏DataCite Commons2021-12-15 更新2025-04-10 收录
下载链接：
https://data.dtu.dk/articles/dataset/Dataset_and_NNP-files_for_Room_temperature_structure_and_energetics_of_water-hydroxyl_layers_on_Pt_111_/17197772/1
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资源简介：
Supplementary files for the publication "Room temperature structure and energetics of water-hydroxyl layers on Pt(111)". The contents are the training set used to train the neural network potentials as well as the neural RuNNer input and output files used for training and running molecular dynamics simulations.
提供机构：
Technical University of Denmark
创建时间：
2021-12-15
