article published Paolo Giannozzi author Stefano Baroni author Nicola Bonini author Matteo Calandra author Roberto Car author Carlo Cavazzoni author Davide Ceresoli author Guido L Chiarotti author Matteo Cococcioni author Ismaila Dabo author Andrea Dal Corso author Stefano de Gironcoli author Stefano Fabris author Guido Fratesi author Ralph Gebauer author Uwe Gerstmann author 1710000-0002-4476-223X Christos Gougoussis author Anton Kokalj author Michele Lazzeri author Layla Martin-Samos author Nicola Marzari author Francesco Mauri author Riccardo Mazzarello author Stefano Paolini author Alfredo Pasquarello author Lorenzo Paulatto author Carlo Sbraccia author Sandro Scandolo author Gabriele Sclauzero author Ari P Seitsonen author Alexander Smogunov author Paolo Umari author Renata M Wentzcovitch author 15 department 170 department 295 department 790 department 35 department 27 department Computing Resources Provided by the Paderborn Center for Parallel Computing project 2009 eng 0953-8984 1361-648X10.1088/0953-8984/21/39/395502 2139 Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., Dal Corso, A., de Gironcoli, S., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj, A., Lazzeri, M., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a> P. Giannozzi <i>et al.</i>, “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, Art. no. 395502, 2009, doi: <a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter 21 (2009). Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a>. Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed Matter</i>, vol. 21, no. 39, 395502, 2009, doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>. Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>. 2009;21(39). doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a> @article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials}, volume={21}, DOI={<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>}, number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni, Matteo and Dabo, Ismaila and et al.}, year={2009} } 138022019-10-11T10:42:39Z2025-12-16T07:42:40Z