DAS Group

Search results

• GAP interatomic potential for PtAu:H nanoparticle simulation

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 13 May 2024

  DOI: 10.5281/zenodo.11184038, https://zenodo.org/records/11184039

  Dataset

• GAP interatomic potential for SnOx nanoparticles

  Prslja, P. (Creator), Zenodo, 19 Jan 2024

  DOI: 10.5281/zenodo.10533147, https://zenodo.org/records/10533148

  Dataset

• GAP general purpose interatomic potential for iron

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7630368, https://zenodo.org/record/7630369

  Dataset

• Structural database of small PtAu and hydrogenated PtAu nanoparticles

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 13 May 2024

  DOI: 10.5281/zenodo.11185691, https://zenodo.org/records/11185692

  Dataset

• Data for "Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics"

  Wang, Y. (Creator), Fan, Z. (Creator), Qian, P. (Creator), Caro Bayo, M. (Creator) & Ala-Nissila, T. (Creator), Zenodo, 21 Aug 2024

  DOI: 10.5281/zenodo.13357335, https://zenodo.org/records/13357335

  Dataset

• Band gap of the III-V semiconductors as a function of lattice parameter

  Caro, M. A. (Creator), Zenodo, 9 Sept 2013

  DOI: 10.5281/zenodo.1247977, https://zenodo.org/record/1247978

  Dataset

• Experimental and Theoretical Study into IdentifyingIdentifying Active Sites of Supported SnOx Nanoparticles for Electrochemical CO2 Reduction Using Machine-Learned Interatomic Potentials

  Prslja, P. (Creator), Zenodo, 29 Dec 2023

  DOI: 10.5281/zenodo.10442170, https://zenodo.org10442171

  Dataset

• General purpose Gaussian approximation potential for CO

  Caro, M. A. (Creator) & Zarrouk, T. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10456067, https://zenodo.org10456068

  Dataset

• Experimental and Computational Study Towards Identifying Active Sites of Supported SnOx Nanoparticles for Electrochemical CO2 Reduction Using Machine-Learned Interatomic Potentials

  Prslja, P. (Creator), Zenodo, 20 May 2024

  DOI: 10.5281/zenodo.10442170, https://zenodo.org/records/11220754

  Dataset

• Iron nanoparticle database

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7632314, https://zenodo.org/record/7632315

  Dataset

• cl-MDS

  Caro Bayo, M. (Creator) & Hernandez Leon, P. (Creator), GitHub, 2022

  https://github.com/mcaroba/cl-MDS

  Dataset: Software or code