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

29.3k citations · 29.3k across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2009★ 29.3k cited

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

P. Giannozzi, S. Baroni, N. Bonini +30

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudop…

cond-mat.mtrl-sci2004

Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene

Jaroslav Tobik, Andrea Dal Corso

We present density functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces ar…