Dataset_and_training_files.zip (297.58 MB)
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Dataset and training files for "Is the water/Pt(111) interface ordered at room temperature?"

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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.

Funding

Toyota Research Institute

History

Related publications (DOI or link to DTU Orbit, DTU Findit)