{"title":"Advanced capabilities for materials modelling with Quantum ESPRESSO","article_number":"465901","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2022-01-06T06:51:45Z","citation":{"short":"P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R.A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N.L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, Journal of Physics: Condensed Matter 29 (2017).","ama":"Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>. 2017;29(46). doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>","chicago":"Giannozzi, P, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i> 29, no. 46 (2017). <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>.","bibtex":"@article{Giannozzi_Andreussi_Brumme_Bunau_Buongiorno Nardelli_Calandra_Car_Cavazzoni_Ceresoli_Cococcioni_et al._2017, title={Advanced capabilities for materials modelling with Quantum ESPRESSO}, volume={29}, DOI={<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>}, number={46465901}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi, P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra, M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and et al.}, year={2017} }","mla":"Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, 465901, 2017, doi:<a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">10.1088/1361-648x/aa8f79</a>.","ieee":"P. Giannozzi <i>et al.</i>, “Advanced capabilities for materials modelling with Quantum ESPRESSO,” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46, 2017.","apa":"Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., … Baroni, S. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>, <i>29</i>(46). <a href=\"https://doi.org/10.1088/1361-648x/aa8f79\">https://doi.org/10.1088/1361-648x/aa8f79</a>"},"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication":"Journal of Physics: Condensed Matter","issue":"46","date_created":"2019-10-11T10:45:17Z","type":"journal_article","_id":"13803","intvolume":"        29","publication_identifier":{"issn":["0953-8984","1361-648X"]},"year":"2017","author":[{"first_name":"P","last_name":"Giannozzi","full_name":"Giannozzi, P"},{"first_name":"O","full_name":"Andreussi, O","last_name":"Andreussi"},{"last_name":"Brumme","full_name":"Brumme, T","first_name":"T"},{"last_name":"Bunau","full_name":"Bunau, O","first_name":"O"},{"first_name":"M","last_name":"Buongiorno Nardelli","full_name":"Buongiorno Nardelli, M"},{"first_name":"M","last_name":"Calandra","full_name":"Calandra, M"},{"full_name":"Car, R","last_name":"Car","first_name":"R"},{"first_name":"C","last_name":"Cavazzoni","full_name":"Cavazzoni, C"},{"first_name":"D","full_name":"Ceresoli, D","last_name":"Ceresoli"},{"first_name":"M","last_name":"Cococcioni","full_name":"Cococcioni, M"},{"first_name":"N","full_name":"Colonna, N","last_name":"Colonna"},{"full_name":"Carnimeo, I","last_name":"Carnimeo","first_name":"I"},{"first_name":"A","last_name":"Dal Corso","full_name":"Dal Corso, A"},{"first_name":"S","full_name":"de Gironcoli, S","last_name":"de Gironcoli"},{"last_name":"Delugas","full_name":"Delugas, P","first_name":"P"},{"first_name":"R A","last_name":"DiStasio","full_name":"DiStasio, R A"},{"last_name":"Ferretti","full_name":"Ferretti, A","first_name":"A"},{"first_name":"A","last_name":"Floris","full_name":"Floris, A"},{"last_name":"Fratesi","full_name":"Fratesi, G","first_name":"G"},{"first_name":"G","full_name":"Fugallo, G","last_name":"Fugallo"},{"first_name":"R","full_name":"Gebauer, R","last_name":"Gebauer"},{"full_name":"Gerstmann, Uwe","last_name":"Gerstmann","id":"171","first_name":"Uwe"},{"first_name":"F","last_name":"Giustino","full_name":"Giustino, F"},{"first_name":"T","last_name":"Gorni","full_name":"Gorni, T"},{"last_name":"Jia","full_name":"Jia, J","first_name":"J"},{"first_name":"M","full_name":"Kawamura, M","last_name":"Kawamura"},{"last_name":"Ko","full_name":"Ko, H-Y","first_name":"H-Y"},{"last_name":"Kokalj","full_name":"Kokalj, A","first_name":"A"},{"full_name":"Küçükbenli, E","last_name":"Küçükbenli","first_name":"E"},{"first_name":"M","last_name":"Lazzeri","full_name":"Lazzeri, M"},{"first_name":"M","last_name":"Marsili","full_name":"Marsili, M"},{"first_name":"N","full_name":"Marzari, N","last_name":"Marzari"},{"first_name":"F","last_name":"Mauri","full_name":"Mauri, F"},{"full_name":"Nguyen, N L","last_name":"Nguyen","first_name":"N L"},{"full_name":"Nguyen, H-V","last_name":"Nguyen","first_name":"H-V"},{"first_name":"A","full_name":"Otero-de-la-Roza, A","last_name":"Otero-de-la-Roza"},{"full_name":"Paulatto, L","last_name":"Paulatto","first_name":"L"},{"last_name":"Poncé","full_name":"Poncé, S","first_name":"S"},{"full_name":"Rocca, D","last_name":"Rocca","first_name":"D"},{"first_name":"R","full_name":"Sabatini, R","last_name":"Sabatini"},{"full_name":"Santra, B","last_name":"Santra","first_name":"B"},{"last_name":"Schlipf","full_name":"Schlipf, M","first_name":"M"},{"last_name":"Seitsonen","full_name":"Seitsonen, A P","first_name":"A P"},{"first_name":"A","full_name":"Smogunov, A","last_name":"Smogunov"},{"first_name":"I","last_name":"Timrov","full_name":"Timrov, I"},{"first_name":"T","full_name":"Thonhauser, T","last_name":"Thonhauser"},{"full_name":"Umari, P","last_name":"Umari","first_name":"P"},{"full_name":"Vast, N","last_name":"Vast","first_name":"N"},{"first_name":"X","last_name":"Wu","full_name":"Wu, X"},{"first_name":"S","last_name":"Baroni","full_name":"Baroni, S"}],"status":"public","volume":29,"doi":"10.1088/1361-648x/aa8f79","funded_apc":"1"}