most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 29.4k across the 4 of their papers we have counts for

collaborators
Showing cond-mat.otherShow all

1 paper · 1 filter

cond-mat.other2007★ 155 cited

Electrostatics in Periodic Boundary Conditions and Real-space Corrections

Ismaila Dabo, Boris Kozinsky, Nicholas E. Singh-Miller +1

We address periodic-image errors arising from the use of periodic boundary conditions to describe systems that do not exhibit full three-dimensional periodicity. The difference bet…