works on
density functional theory 1electronic structure 1high-performance computing 1open-source software 1plane-wave methods 1pseudopotentials 1

From the 1 of 156 linked papers with an AI index.

activity
19942026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 72.6k across the 151 of their papers we have counts for

collaborators
Showing 1996Show all

2 papers · 1 filter

cond-mat.mtrl-sci1996★ 26 cited

First-Principles Wannier Functions of Silicon and Gallium Arsenide

Pablo Fernández, Andrea Dal Corso, Francesco Mauri +1

We present a self-consistent, real-space calculation of the Wannier functions of Si and GaAs within density functional theory. We minimize the total energy functional with respect…

mtrl-th1996★ 94 cited

Magnetic susceptibility of insulators from first principles

Francesco Mauri, Steven G. Louie

We present an {\it ab initio} approach for the computation of the magnetic susceptibility of insulators. The approach is applied to compute in diamond and in solid neon usi…