SWCNT Dataset

Published: 10 September 2021| Version 1 | DOI: 10.17632/vwd34rvphw.1
Marko Canadija


This is the dataset used for DNN training in the research paper: Čanađija, M.: Deep learning framework for carbon nanotubes: mechanical properties and modeling strategies, Carbon (2021). https://doi.org/10.1016/j.carbon.2021.08.091 It contains basic data about configurations and corresponding mechanical properties for all single-walled carbon nanotubes with diameter up to 4 nm. The dataset was obtained by MD simulations in LAMMPS using modified AIREBO potential. For all other details, please consult the above paper. The column names are self-explanatory. In the case you find this dataset useful, please cite the above paper. Full bibliographic data can be found at the listed DOI link.



Engineering, Physics, Machine Learning, Carbon Nanotube Properties, Computational Nanotechnology