Technical University of Denmark
Browse (297.58 MB)

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

Download (297.58 MB)
posted on 2021-08-17, 06:27 authored by August Edwards Guldberg Mikkelsen
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.


Toyota Research Institute