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 …

Progress in the discovery of new materials has been accelerated by the development of
reliable quantum-mechanical approaches to crystal structure prediction. The properties of a …

The absence of electrical resistance exhibited by superconducting materials would have
enormous potential for applications if it existed at ambient temperature and pressure …

Hydrogen-based superconductors provide a route to the long-sought goal of room-
temperature superconductivity, but the high pressures required to metallize these materials …

The recent observation of room-temperature superconductivity will undoubtedly lead to a
surge in the discovery of new, dense, hydrogen-rich materials. The rare earth metal …

Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …

The discovery of superconductivity at 200 kelvin in the hydrogen sulfide system at high
pressures demonstrated the potential of hydrogen-rich materials as high-temperature …

Thanks to the development of experimental high-pressure techniques and methods for
crystal-structure prediction based on quantum mechanics, in the past decade, numerous …

The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact
the free energy of a crystal, its atomic structure, and phonon spectrum is one of the main …

Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …