Christos Gougoussis

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

29.3k citations · 29.3k across the 2 of their papers we have counts for

collaborators

2 papers

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-sci2009

First principles calculations of X-ray absorption in an ultrasoft pseudopotentials scheme: from $α$ -quartz to high-T $_{c}$ compounds

Christos Gougoussis, Matteo Calandra, Ari P. Seitsonen +1

We develop a first-principles scheme based on the continued fraction approach an d ultrasoft pseudopotentials to calculate K-edge X-ray absorption spectra in solids. The method all…

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

First principles calculations of X-ray absorption in an ultrasoft pseudopotentials scheme: from α-quartz to high-Tc​ compounds

First principles calculations of X-ray absorption in an ultrasoft pseudopotentials scheme: from $α$ -quartz to high-T $_{c}$ compounds