Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi(University of Udine), Renata M. Wentzcovitch(Columbia University), Matteo Cococcioni(University of Minnesota), Nicola Marzari(University of Cambridge), Davide Ceresoli(Massachusetts Institute of Technology), Roberto Car(Princeton University), Anton Kokalj(Jožef Stefan Institute), Michele Lazzeri(Centre National de la Recherche Scientifique), Stefano Baroni(Scuola Internazionale Superiore di Studi Avanzati), G. Chiarotti(Superconducting and other Innovative Materials and Devices Institute), Andrea Dal Corso(Scuola Internazionale Superiore di Studi Avanzati), Ari P. Seitsonen(Centre National de la Recherche Scientifique), Ralph Gebauer(The Abdus Salam International Centre for Theoretical Physics (ICTP)), Stefano de Gironcoli(Scuola Internazionale Superiore di Studi Avanzati), Stefano Paolini(Scuola Internazionale Superiore di Studi Avanzati), Carlo Sbraccia(AREA Science Park), U. Gerstmann(Paderborn University), Sandro Scandolo(The Abdus Salam International Centre for Theoretical Physics (ICTP)), Francesco Mauri(Italian Institute of Technology), Guido Fratesi(University of Milano-Bicocca), Alexander Smogunov(The Abdus Salam International Centre for Theoretical Physics (ICTP)), Ismaïla Dabo(Pennsylvania State University), Christos Gougoussis(Centre National de la Recherche Scientifique), Matteo Calandra(Centre National de la Recherche Scientifique), Nicolao Bonini(University of Trento), Stefano Fabris(Scuola Internazionale Superiore di Studi Avanzati)
Cited by 1,166
Related Papers
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
|Journal of Physics Condensed Matter|2009|28.8k
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
|Nature Nanotechnology|2018|1.8k
Reproducibility in density functional theory calculations of solids
|Science|2016|1.6k
Precision and efficiency in solid-state pseudopotential calculations
|npj Computational Materials|2018|833
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">VO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Peierls or Mott-Hubbard? A view from band theory
|Physical Review Letters|1994|659