Hybridinanopartikkelien rakenteiden ennustaminen tekoälyä hyväksi käyttäen (HNP-AI)
Päärahoittaja
Rahoittajan antama koodi/diaarinumero: 315549
Päärahoittajan myöntämä tuki (€)
- 458 214,00
Rahoitusohjelma
Hankkeen aikataulu
Hankkeen aloituspäivämäärä: 01.01.2018
Hankkeen päättymispäivämäärä: 31.12.2022
Tiivistelmä
This project aims at new scientific breakthroughs in the area of computational research of nanomaterials, specifically developing newopen-source AI-based algorithms and software for reliable structural predictions of ambiently stable hybrid metal nanoparticles in the size range up to a few nanometers in diameter, and analyzing correlations in the experimental and computational nanoparticles'structure-property data. The improved understanding of nanoparticles' structure-property relationships and of the initial structures that dominate their nucleation mechanisms in solution helps to design more stable, functional nanoparticles for various applications. The new software can be used in other areas of nanomaterials research for improved structure prediction and structure-property research.The project is a collaboration between Academy Prof. Hannu Häkkinen at the Jyväskylä University (JYU) Nanoscience Center and
Prof. Tommi Kärkkäinen at the IT Faculty of JYU.
Prof. Tommi Kärkkäinen at the IT Faculty of JYU.
Vastuullinen johtaja
Muut hankkeeseen liittyvät henkilöt (JYU)
Päävastuullinen yksikkö
Liittyvät julkaisut ja muut tuotokset
1/2
- Elucidating the Structures of Intermediate Fragments during Stepwise Dissociation of Monolayer‐Protected Silver Clusters (2023) Chakraborty, Papri; et al.; A1; OA
- Synthesis and Characterization of a Monodentate N-Heterocyclic Carbene-Protected Au11-Nanocluster via Reduction with KC8 (2023) Sullivan, Angus I.; et al.; A1; OA
- Tailoring Vacancy Defects in Isolated Atomically Precise Silver Clusters through Mercury-Doped Intermediates (2023) Chakraborty, Papri; et al.; A1; OA
- What Contributes to the Measured Chiral Optical Response of the Glutathione-Protected Au25 Nanocluster? (2023) Monti, Marta; et al.; A1; OA
- 1H NMR global diatropicity in copper hydride complexes (2022) López-Estrada, Omar; et al.; A1; OA
- Isomer dynamics of the [Au6(NHC-S)4]2+ nanocluster (2022) Sabooni Asre Hazer, Maryam; et al.; A1; OA
- Regioselective hydrogenation of alkenes over atomically dispersed Pd sites on NHC-stabilized bimetallic nanoclusters (2022) Shen, Hui; et al.; A1
- Cubic aromaticity in ligand-stabilized doped Au superatoms (2021) López-Estrada, Omar; et al.; A1; OA
- Magnetically induced currents and aromaticity in ligand-stabilized Au and AuPt superatoms (2021) López-Estrada, Omar; et al.; A1; OA
- Orientation Adaptive Minimal Learning Machine for Directions of Atomic Forces (2021) Pihlajamäki, Antti; et al.; A4; OA; 978-2-87587-082-7
