Advanced capabilities for materials modelling with Quantum ESPRESSO

Quantum ESPRESSO 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
perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave
approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties
and processes it allows to simulate, to its performance on an increasingly broad array of
hardware architectures, and to a community of researchers that rely on its capabilities as a
core open-source development platform to implement their ideas. In this paper we describe
recent extensions and improvements, covering new methodologies and property calculators,
improved parallelization, code modularization, and extended interoperability both within the
distribution and with external software.