{"issue":"39","publication":"Journal of Physics: Condensed Matter","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"790"},{"_id":"35"},{"_id":"27"}],"date_created":"2019-10-11T10:42:39Z","date_updated":"2025-12-16T07:42:40Z","publication_status":"published","intvolume":"        21","year":"2009","title":"QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials","author":[{"full_name":"Giannozzi, Paolo","last_name":"Giannozzi","first_name":"Paolo"},{"full_name":"Baroni, Stefano","last_name":"Baroni","first_name":"Stefano"},{"first_name":"Nicola","last_name":"Bonini","full_name":"Bonini, Nicola"},{"full_name":"Calandra, Matteo","last_name":"Calandra","first_name":"Matteo"},{"last_name":"Car","first_name":"Roberto","full_name":"Car, Roberto"},{"full_name":"Cavazzoni, Carlo","first_name":"Carlo","last_name":"Cavazzoni"},{"first_name":"Davide","last_name":"Ceresoli","full_name":"Ceresoli, Davide"},{"full_name":"Chiarotti, Guido L","last_name":"Chiarotti","first_name":"Guido L"},{"last_name":"Cococcioni","first_name":"Matteo","full_name":"Cococcioni, Matteo"},{"first_name":"Ismaila","last_name":"Dabo","full_name":"Dabo, Ismaila"},{"full_name":"Dal Corso, Andrea","first_name":"Andrea","last_name":"Dal Corso"},{"last_name":"de Gironcoli","first_name":"Stefano","full_name":"de Gironcoli, Stefano"},{"full_name":"Fabris, Stefano","last_name":"Fabris","first_name":"Stefano"},{"full_name":"Fratesi, Guido","last_name":"Fratesi","first_name":"Guido"},{"full_name":"Gebauer, Ralph","last_name":"Gebauer","first_name":"Ralph"},{"full_name":"Gerstmann, Uwe","first_name":"Uwe","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","id":"171"},{"full_name":"Gougoussis, Christos","last_name":"Gougoussis","first_name":"Christos"},{"full_name":"Kokalj, Anton","last_name":"Kokalj","first_name":"Anton"},{"full_name":"Lazzeri, Michele","first_name":"Michele","last_name":"Lazzeri"},{"full_name":"Martin-Samos, Layla","first_name":"Layla","last_name":"Martin-Samos"},{"first_name":"Nicola","last_name":"Marzari","full_name":"Marzari, Nicola"},{"first_name":"Francesco","last_name":"Mauri","full_name":"Mauri, Francesco"},{"full_name":"Mazzarello, Riccardo","last_name":"Mazzarello","first_name":"Riccardo"},{"full_name":"Paolini, Stefano","first_name":"Stefano","last_name":"Paolini"},{"last_name":"Pasquarello","first_name":"Alfredo","full_name":"Pasquarello, Alfredo"},{"full_name":"Paulatto, Lorenzo","last_name":"Paulatto","first_name":"Lorenzo"},{"full_name":"Sbraccia, Carlo","last_name":"Sbraccia","first_name":"Carlo"},{"last_name":"Scandolo","first_name":"Sandro","full_name":"Scandolo, Sandro"},{"last_name":"Sclauzero","first_name":"Gabriele","full_name":"Sclauzero, Gabriele"},{"last_name":"Seitsonen","first_name":"Ari P","full_name":"Seitsonen, Ari P"},{"last_name":"Smogunov","first_name":"Alexander","full_name":"Smogunov, Alexander"},{"first_name":"Paolo","last_name":"Umari","full_name":"Umari, Paolo"},{"full_name":"Wentzcovitch, Renata M","last_name":"Wentzcovitch","first_name":"Renata M"}],"publication_identifier":{"issn":["0953-8984","1361-648X"]},"doi":"10.1088/0953-8984/21/39/395502","article_number":"395502","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"bibtex":"@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} }","ama":"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>","mla":"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>.","short":"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).","chicago":"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>.","ieee":"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>.","apa":"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>"},"status":"public","user_id":"16199","volume":21,"funded_apc":"1","_id":"13802"}