Andrea Floris

TL;DR: Recent extensions and improvements are described, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density functional theory, density functional perturbation theory, and many-body perturbations theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches.

TL;DR: In this paper, the authors assess the descriptive capabilities of the Hubbard-rooted LDA+U method and clarify the conditions under which it can be expected to be most predictive.

TL;DR: In this paper, an approach to the description of superconductors in thermal equilibrium is developed within a formally exact density functional framework, formulated in terms of three "densities": the ordinary electron density, the superconducting order parameter, and the diagonal of the nuclear N-body density matrix.

TL;DR: In this paper, the density functional theory for superconductors is applied to the calculation of superconducting properties of several elemental metals and the results for the transition temperature, for the gap at zero temperature, and for thermodynamic properties like the specific heat are obtained.