Kernels and Graphs on M25 + H (parent repository)
Pihlajamäki, Antti; Kärkkäinen, Tommi; Malola, Sami; Häkkinen, Hannu. (2023). Kernels and Graphs on M25 + H (parent repository). University of Jyväskylä. 10.17011/jyx/dataset/87525
Date
2023Copyright
Pihlajamäki, Antti and University of Jyväskylä
The repository contains codes related to article "Graphs and Kernelized Learning Applied to Interactions of Hydrogen with Doped Gold Nanoparticle Electrocatalysts". There are two main types of codes: codes to transform a catalytic system of protected gold nanoparticle and a single hydrogen atom into a graph-based representation, and codes to run kernel-based machine learning methods to predict interaction energies between the nanoparticle and the hydrogen atom.
This is the metadata for the parent repository of the codes. Updates and possible corrections are documented in the GitLab project, where the material saved and shared. The GitLab project can be found and downloaded from the following address: https://gitlab.jyu.fi/mlnovcat-aneepihl/kernels-and-graphs-on-m25-h
Publisher
University of JyväskyläContains datasets
- Pihlajamäki, Antti; Kärkkäinen, Tommi; Malola, Sami; Häkkinen, Hannu. Kernels and Graphs on M25 + H. V. 31.3.2023. University of Jyväskylä. https://doi.org/10.17011/jyx/dataset/87521
Keywords
Dataset in research information system
https://converis.jyu.fi/converis/portal/detail/ResearchDataset/183430608
Metadata
Show full item recordCollections
- Tutkimusdata [284]
Related funder(s)
Suomen Akatemia; Academy of FinlandFunding program(s)
Muut, SA; Others, AoF
License
Except where otherwise noted, this item's license is described as Creative Commons Attribution 4.0 International