Dataset for "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces".
dataset
posted on 2023-03-16, 11:32 authored by Xin Yang, Heine Anton HansenHeine Anton Hansen, Arghya BhowmikArghya Bhowmik, Tejs VeggeTejs VeggeThis is the dataset for the paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces".
This dataset contains 18773 Au-water interface structures with different number of hydroxyls and oxygens.
The format of this dataset is ASE (Atomic Simulation Environment) default trajectory file, which can be directly read by ASE python package.
Funding
Carlsberg Foundation Young Researcher Fellowship (Grant No. CF19-0304)
History
ORCID for corresponding depositor
Usage metrics
Categories
Licence
Exports
RefWorksRefWorks
BibTeXBibTeX
Ref. managerRef. manager
EndnoteEndnote
DataCiteDataCite
NLMNLM
DCDC