Research output per year
Research output per year
Description
This is a video of a "large" (16384 atoms) Pt nanoparticle solidifying from 3000 K down to 300 K over 1 ns of molecular dynamics, modeled with a GAP interatomic potential for platinum [1]. One can observe how the formation of the stable bulk fcc motifs is nucleated inward from the surface. A paper reference will be added when available.
References
J. Kloppenburg and M.A. Caro. General-purpose GAP potential for platinum. DOI: 10.5281/zenodo.7415219.
References
J. Kloppenburg and M.A. Caro. General-purpose GAP potential for platinum. DOI: 10.5281/zenodo.7415219.
| Date made available | 8 Dec 2022 |
|---|---|
| Publisher | Zenodo |
Dataset Licences
- CC-BY-4.0
Research output
- 1 Article
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A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Kloppenburg, J., Pártay, L. B., Jónsson, H. & Caro, M. A., 7 Apr 2023, In: The Journal of chemical physics. 158, 13, 9 p., 134704.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile9 Citations (Scopus)103 Downloads (Pure)
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NEXTCELL: Next generation interatomic potentials to simulate new cellulose based materials
Caro Bayo, M. (Principal investigator)
01/09/2020 → 31/08/2025
Project: Academy of Finland: Other research funding
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-: Formation of CO, CH4 and CH3OH by electrochemical reduction of CO2
Caro Bayo, M. (Principal investigator), Ibragimova, R. (Project Member), Pršlja, P. (Project Member), Zarrouk, T. (Project Member), Hernandez Leon, P. (Project Member), Kuklin, M. (Project Member), Kloppenburg, J. (Project Member), Lehtomäki, J. (Project Member) & Järvinen, K. (Project Member)
01/01/2020 → 31/12/2023
Project: Academy of Finland: Other research funding