Abinit is a material-and nanostructure-oriented package that implements density-functional
theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles …

Designing materials with advanced functionalities is the main focus of contemporary solid-
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …

The electronic transport behaviour of materials determines their suitability for technological
applications. We develop a computationally efficient method for calculating carrier scattering …

Semiconductors with high thermal conductivity and electron-hole mobility are of great
importance for electronic and photonic devices as well as for fundamental studies. Among …

The recent theory-orientated discovery of record high-temperature superconductivity (T c∼
250 K) in sodalitelike clathrate LaH 10 is an important advance toward room-temperature …

Thermoelectric generators, capable of directly converting heat into electricity, hold great
promise for tackling the ever-increasing energy sustainability issue. The thermoelectric …

This article reviews the theory of electron-phonon interactions in solids from the point of view
of ab initio calculations. While the electron-phonon interaction has been studied for almost a …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

Abstract The EPW (Electron-Phonon coupling using Wannier functions) software is a
Fortran90 code that uses density-functional perturbation theory and maximally localized …

Phonon scattering limits charge-carrier mobilities and governs emission line broadening in
hybrid metal halide perovskites. Establishing how charge carriers interact with phonons in …