A deep generative modeling architecture for designing lattice-constrained materials.
Authors: *Ericsson Tetteh Chenebuah, Michel Nganbe and Alain Beaudelaire Tchagang.
Department of Mechanical Engineering, University of Ottawa, 161 Louis-Pasteur, Ottawa, ON, K1N 6N5 Canada.
Digital Technologies Research Centre, National Research Council of Canada, 1200 Montréal Road, Ottawa, ON, K1A 0R6 Canada.
*Corresponding author: [email protected]
The new materials dataset can be downloaded in the "CIFs.zip" folder. You can equally access the files, as well as the Quantum Espresso (QE) DFT output files (i.e. Variable-cell Relaxation) from the Mendeley data repository: https://doi.org/10.17632/m262xxpgn2.1
If you are using this resource, please cite as:
@Article{Chenebuah2024,
author={Chenebuah, Ericsson Tetteh and Nganbe, Michel and Tchagang, Alain Beaudelaire},
title={A deep generative modeling architecture for designing lattice-constrained perovskite materials},
journal={npj Computational Materials},
year={2024},
month={Aug},
day={30},
volume={10},
number={1},
pages={198},
issn={2057-3960},
doi={10.1038/s41524-024-01381-9},
url={https://doi.org/10.1038/s41524-024-01381-9}
}