Browse
Search
.GZ
single-large-doped.tar.
gz
(5.58 GB)
view
download
Download file
.GZ
single-undoped.tar.
gz
(5.63 GB)
view
download
Download file
ARCHIVE
single-small-doped.tar.
gz
(2.3 GB)
view
download
Download file
.GZ
single-medium-doped.tar.
gz
(9.82 GB)
view
download
Download file
TEXT
uwyo-sac-dac-readme.
txt
(8.38 kB)
view
download
Download file
Next page
Previous page
1/1
Switch View
Switch between different file views
Thumbnail view
List view
File view
5 files
Fullscreen
multi-fidelity modelling of single-atom catalyst for hydrogen evolution reaction
Cite
Download all
(23.33 GB)
Share
Embed
dataset
posted on 2021-08-31, 14:12
authored by
Hud Bin Abdul Wahab
Hud Bin Abdul Wahab
This dataset contains low- and high-fidelity DFT data for N-doped, undoped single atom catalysts of various sizes.
History
Department
Chemical Engineering - CHE
Usage metrics
UW Research Data
Categories
Cheminformatics and Quantitative Structure-Activity Relationships
Catalysis and Mechanisms of Reactions
Theory and Design of Materials
Keywords
machine learning-based
Multifidelity
hydrogen evolution
Licence
CC BY-SA 4.0
Exports
Select an option
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC