Kernels and Graphs on M25 + H
Pihlajamäki, Antti; Kärkkäinen, Tommi; Malola, Sami; Häkkinen, Hannu. Kernels and Graphs on M25 + H. V. 31.3.2023. University of Jyväskylä. 10.17011/jyx/dataset/87521
Päivämäärä
2023Tekijänoikeudet
Pihlajamäki, Antti and University of Jyväskylä
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 a snapshot of the code dataset that has been taken on 06.06.2023. A more detailed description of the data and the address to the GitLab repository for the latest version of the code can be found from the parent dataset of this data publication.
Julkaisija
University of JyväskyläKuuluu aineistoon
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/87525Asiasanat
Aineisto tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/ResearchDataset/183437874
Metadata
Näytä kaikki kuvailutiedotKokoelmat
- Tutkimusdata [241]
Rahoittaja(t)
Suomen Akatemia; Academy of FinlandRahoitusohjelmat(t)
Others, AoF; Muut, SALisenssi
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
Kernels and Graphs on M25 + H (parent repository)
Häkkinen, Hannu; Kärkkäinen, Tommi; Pihlajamäki, Antti; Malola, Sami (University of Jyväskylä, 2023)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 ... -
Highly Robust but Surface-Active : An N-Heterocyclic Carbene-Stabilized Au25 Nanocluster
Shen, Hui; Deng, Guocheng; Kaappa, Sami; Tan, Tongde; Han, Ying-Zi; Malola, Sami; Lin, Shui-Chao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng (Wiley-VCH Verlag, 2019)Surface organic ligands play a critical role in stabilizing atomically precise metal nanoclusters in solutions. However, it is still challenging to prepare highly robust ligated metal nanoclusters that are surface-active ... -
3D Printed Palladium Catalyst for Suzuki-Miyaura Cross-coupling Reactions
Haukka, Matti; Bulatov, Evgeny; Lahtinen, Elmeri; Kivijärvi, Lauri; Hey-Hawkins, Evamarie (Wiley-VCH Verlag, 2020)Selective laser sintering (SLS) 3d printing was utilized to manufacture solid catalyst for Suzuki-Miyaura cross-coupling reactions from polypropylene as a base material and palladium nanoparticles on silica (SilicaCat Pd0 ... -
Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters : A Venus Flytrap Mechanism
Mammen, Nisha; Malola, Sami; Honkala, Karoliina; Häkkinen, Hannu (American Chemical Society (ACS), 2022)The catalytic partial hydrogenation of α,β-unsaturated aldehydes is an ideal reaction to understand the selectivity between two different functional groups Here the two functional groups are C═C and C═O, and the hydrogenation ... -
Multi metallic Electro-Catalyst Design for Enhanced Oxygen Evolution Reaction : Immobilizing MnFe Nanoparticles on ZIF-67-decorated Graphene Oxide
Naghshbandi, Zhwan; Moradi, Kayvan; Salimi, Abdollah; Gholinejad, Mohammad; Feizabadi, Ali (Elsevier, 2024)The advancement of large-scale hydrogen production and its application via electrocatalytic water splitting heavily relies on progress in developing highly active inexpensive, and efficient electrocatalysts for oxygen ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.