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. https://doi.org/10.17011/jyx/dataset/87525.


JYU authors
  • Contact person (yes/no)Yes
  • Contact person (yes/no)Yes
  • Contact person (yes/no)Yes
  • Contact person (yes/no)Yes

All authorsPihlajamäki, Antti; Kärkkäinen, Tommi; Malola, Sami; Häkkinen, Hannu

FundersResearch Council of Finland

Right-holders


Availability and identifiers

AvailabilityDirect download

Publication year2023

URN identifier in original repositoryhttp://urn.fi/URN:NBN:fi:jyu-202306073591

DOI identifier in original repositoryhttps://doi.org/10.17011/jyx/dataset/87525

URN identifier in JYXhttp://urn.fi/URN:NBN:fi:jyu-202306073591

DOI identifier in JYXhttps://doi.org/10.17011/jyx/dataset/87525


Description of the dataset

DescriptionThe 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

LanguageEnglish

Free keywordsmachine learning, graphs, kernels, catalysis, nanoparticles, clusters, gold,

Keywords (YSO)machine learningcatalysiscatalystsnanoparticlesnanomaterialsnanosciences

Fields of science114 Physical sciences116 Chemical sciences113 Computer and information sciences

Follow-up groupsNanoscience Center (Department of Physics PHYS, JYFL) (Faculty of Mathematics and Science) (Department of Chemistry CHEM) (Department of Biological and Environmental Science BIOENV) NSC

Profiling areaNanoscience Center (Department of Physics PHYS, JYFL) (Faculty of Mathematics and Science) (Department of Chemistry CHEM) (Department of Biological and Environmental Science BIOENV) NSC

Do you deal with data concerning special categories of personal data in your research?No


Projects related to dataset


Last updated on 2023-07-06 at 15:42