Dataset for "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces".
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下载链接：
https://data.dtu.dk/articles/dataset/Dataset_for_Neural_Network_Potentials_for_Accelerated_Metadynamics_of_Oxygen_Reduction_Kinetics_at_Au-Water_Interfaces_/22284514/1
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资源简介：
This is the dataset for the paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces". <br> This dataset contains 18773 Au-water interface structures with different number of hydroxyls and oxygens. <br> The format of this dataset is ASE (Atomic Simulation Environment) default trajectory file, which can be directly read by ASE python package.
提供机构：
Technical University of Denmark
创建时间：
2023-03-16
