M. Buongiorno Nardelli

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: A combined theoretical and experimental study of the ferromagnetic semiconductor (Ga,Mn)As reveals that electric fields induced by Mn acceptors have a significant effect on the diffusion of Mn interstitials towards the surface.

TL;DR: A review of the recent progress in understanding of the mechanical and electrical properties of carbon nanotubes, emphasizing the theoretical aspects, can be found in this paper, where the authors discuss the use of nanotube-reinforced composites in nanoscale sensors and devices.

TL;DR: In this article, the electron-phonon interaction in monolayer graphene is investigated using density-functional perturbation theory, and the results indicate that the electronphonons interaction strength is of comparable magnitude for all four in-plane phonon branches and must be considered simultaneously.