Quantum ESPRESSO papers

BibTeX format

  author={P Giannozzi and O Andreussi and T Brumme and O Bunau and M Buongiorno Nardelli
  and M Calandra and R Car and C Cavazzoni and D Ceresoli and M Cococcioni and N Colonna
  and I Carnimeo and A Dal Corso and S de Gironcoli and P Delugas and R A DiStasio Jr and A Ferretti
  and A Floris and G Fratesi and G Fugallo and R Gebauer and U Gerstmann and F Giustino and T Gorni
  and J Jia and M Kawamura and H-Y Ko and A Kokalj and E Küçükbenli and M Lazzeri and M Marsili
  and N Marzari and F Mauri and N L Nguyen and H-V Nguyen and A Otero-de-la-Roza and L Paulatto
  and S Poncé and D Rocca and R Sabatini and B Santra and M Schlipf and A P Seitsonen
  and A Smogunov and I Timrov and T Thonhauser and P Umari and N Vast and X Wu and S Baroni},
  title={Advanced capabilities for materials modelling with QUANTUM ESPRESSO},
  journal={Journal of Physics: Condensed Matter},

    Author = {Paolo Giannozzi and Stefano Baroni and Nicola Bonini and Matteo Calandra and Roberto Car
 and Carlo Cavazzoni and Davide Ceresoli and Guido L Chiarotti and Matteo Cococcioni and Ismaila Dabo
 and Andrea {Dal Corso} and Stefano de Gironcoli and Stefano Fabris and Guido Fratesi and Ralph Gebauer
 and Uwe Gerstmann and Christos Gougoussis and Anton Kokalj and Michele Lazzeri and Layla Martin-Samos
 and Nicola Marzari and Francesco Mauri and Riccardo Mazzarello and Stefano Paolini and Alfredo Pasquarello
 and Lorenzo Paulatto and Carlo Sbraccia and Sandro Scandolo and Gabriele Sclauzero and Ari P Seitsonen
 and Alexander Smogunov and Paolo Umari and Renata M Wentzcovitch},
    Journal = {Journal of Physics: Condensed Matter},
    Number = {39},
    Pages = {395502 (19pp)},
    Title = {QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials},
    Url = {http://www.quantum-espresso.org},
    Volume = {21},
    Year = {2009}}

 author = {Giannozzi,Paolo  and Baseggio,Oscar  and Bonfà,Pietro  and Brunato,Davide  and Car,Roberto  and Carnimeo,Ivan  
           and Cavazzoni,Carlo  and de Gironcoli,Stefano  and Delugas,Pietro  and Ferrari Ruffino,Fabrizio  and Ferretti,Andrea  
           and Marzari,Nicola  and Timrov,Iurii  and Urru,Andrea  and Baroni,Stefano },
 title = {Quantum ESPRESSO toward the exascale},
 journal = {The Journal of Chemical Physics},
 volume = {152},
 number = {15},
 pages = {154105},
 year = {2020},
 doi = {10.1063/5.0005082},

 URL = { 
eprint = { 

Note the form {\sc Quantum ESPRESSO} for textual citations of the code. Pseudopotentials should be cited as

[PSEUDO] We used the pseudopotentials C.pbe-rrjkus.UPF and O.pbe-vbc.UPF from http://www.quantum-espresso.org.