Neural network potential for H/Ru(0001).
- Loncaric, Ivor 1
- Lindner, Steven 2
- Vrček, Lovro 3
- Alducin, Maite 4
- Juaristi, J. I. 5
- Saalfrank, Peter 2
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1
Rudjer Boskovic Institute
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2
University of Potsdam
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- 3 Genome Institute of Singapore, A*STAR
- 4 Centro de Fisica de Materiales CFM/MPC (CSIC-UPV/EHU)
- 5 Universidad del Pais Vasco (UPV/EHU)
Editorial: Zenodo
Año de publicación: 2023
Tipo: Dataset
Resumen
Neural network potential for H atoms on static Ru(0001) surface in PROPhet (https://github.com/biklooost/PROPhet) LAMMPS format.
Información de financiación
Financiadores
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Hrvatska Zaklada za Znanost
- Extending length and time scales of first principles material modelling via machine learning