Dataset_and_NNP_files.zip (549.91 MB)
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Dataset and NNP-files for "Room temperature structure and energetics of water-hydroxyl layers on Pt(111)"

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posted on 15.12.2021, 07:09 by August Edwards Guldberg Mikkelsen
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.

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Toyota Research Institute

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