Dataset and training files for "Is the water/Pt(111) interface ordered at room temperature?"
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https://data.dtu.dk/articles/dataset/Dataset_and_training_files_for_Is_the_water_Pt_111_interface_ordered_at_room_temperature_/14791755/1
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资源简介：
Supplementary files for the publication "Is the water-Pt(111) interface ordered at room temperature?" published in the Journal of Chemical Physics. 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：
2021-08-17
