Large-scale computing with Quantum ESPRESSO
Paolo Giannozzi, Cnr-Infm Democritos · CNR Solar (Scientific Open-access Literature Archive and Repository) (Consiglio Nazionale delle Ricerche) · 2009
This paper gives a short introduction to Quantum ESPRESSO: a distribution of software for atomistic simulations in condensed-matter physics, chemical physics, materials science, and to its usage in large-scale parallel computing.