How To Cite

Please aknowledge the use of the ADAQ database when using the tools and data we provide. The following citation should be used for the the ADAQ platform of workflows and the ADAQ database in general:

"ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors", J. Davidsson, V. Ivády, R. Armiento, and I. A. Abrikosov, Comp. Phys. Communications 269, 108091 (2021), https://doi.org/10.1016/j.cpc.2021.108091.

For specific entries in the database, please refer to the section "Metadata" to find references to the origin of the data. The most central ones are:

For defects in diamond: Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database, J. Davidsson, W. Stenlund, A. S Parackal, R. Armiento, I. A. Abrikosov, arXiv:2306.11116 [cond-mat.mtrl-sci] https://doi.org/10.48550/arXiv.2306.11116 (2023).
For defects in CaO: Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles, J. Davidsson, M. Onizhuk, C. Vorwerk, and G. Galli, arXiv:2302.07523 [cond-mat.mtrl-sci] (2024).

BiBTeX-formatted references

@article{DAVIDSSON2021108091,
title = {{ADAQ:} Automatic workflows for magneto-optical properties of point defects in semiconductors},
journal = {Computer Physics Communications},
volume = {269},
pages = {108091},
year = {2021},
issn = {0010-4655},
doi = {https://doi.org/10.1016/j.cpc.2021.108091},
url = {https://www.sciencedirect.com/science/article/pii/S0010465521002034},
author = {Joel Davidsson and Viktor Ivády and Rickard Armiento and Igor A. Abrikosov},
keywords = {Point defects, Semiconductors, Density functional theory, Photoluminescence, Automatic workflow, Python}
}

@misc{davidsson2023na,
title={Na in Diamond: High Spin Defects Revealed by the ADAQ High-Throughput Computational Database},
author={Joel Davidsson and William Stenlund and Abhijith S Parackal and Rickard Armiento and Igor A. Abrikosov},
year={2023},
eprint={2306.11116},
archivePrefix={arXiv},
primaryClass={cond-mat.mtrl-sci}
}

@misc{davidsson2024discovery,
title={Discovery of Atomic Clock-Like Spin Defects in Simple Oxides from First Principles},
author={Joel Davidsson and Mykyta Onizhuk and Christian Vorwerk and Giulia Galli},
year={2024},
eprint={2302.07523},
archivePrefix={arXiv},
primaryClass={cond-mat.mtrl-sci}
}