(citeus)=

# Cite

[![DOI](https://img.shields.io/badge/DOI-10.1038/s41524025016854-purple.svg)](https://doi.org/10.1038/s41524-025-01685-4)

If you use this plugin for your research, please cite the following works:

> Lorenzo Bastonero, Cristiano Malica, Eric Macke, Marnik Bercx, Sebastiaan Huber, Iurii Timrov, and Nicola Marzari, [*First-principles Hubbard parameters with automated and reproducible workflows*](https://doi.org/10.1038/s41524-025-01685-4), npj Comput. Mater. **11**, 183 (2025)

> Sebastiaan. P. Huber _et al._, [*AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance*](https://doi.org/10.1038/s41597-020-00638-4), Scientific Data **7**, 300 (2020)

> Martin Uhrin, Sebastiaan. P. Huber, Jusong Yu, Nicola Marzari, and Giovanni Pizzi, [*Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows*](https://www.sciencedirect.com/science/article/pii/S0010465522001746), Computational Materials Science **187**, 110086 (2021)

Please, also cite the relevant _Quantum ESPRESSO_ and _HP_ references.

> Iurii Timrov, Nicola Marzari, and Matteo Cococcioni, [*HP – A code for the calculation of Hubbard parameters using density-functional perturbation theory*](https://www.sciencedirect.com/science/article/pii/S0010465522001746), Computer Physics Communication **279**, 108455 (2022)

> Paolo Giannozzi _et al._, [*Advanced capabilities for materials modelling with Quantum ESPRESSO*](https://iopscience.iop.org/article/10.1088/1361-648X/aa8f79) J.Phys.:Condens.Matter **29**, 465901 (2017)

> Paolo Giannozzi _et al._, [*QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials*](https://iopscience.iop.org/article/10.1088/0953-8984/21/39/395502) J. Phys. Condens. Matter **21**, 395502 (2009)

For the GPU-enabled version of _Quantum ESPRESSO_:

> Paolo Giannozzi _et al._, [*Quantum ESPRESSO toward the exascale*](https://pubs.aip.org/aip/jcp/article/152/15/154105/1058748/Quantum-ESPRESSO-toward-the-exascale), J. Chem. Phys. **152**, 154105 (2020)