Materials at high pressures and temperatures are of great interest for planetary science and
astrophysics, warm dense-matter physics and inertial confinement fusion research …

Two or more liquid states may exist even for single-component substances, which is known
as liquid polymorphism, and the transition between them is called liquid–liquid transition …

Hydrogen, the simplest and most abundant element in the Universe, develops a remarkably
complex behaviour upon compression. Since Wigner predicted the dissociation and …

We have developed a technique combining the accuracy of quantum Monte Carlo in
describing the electron correlation with the efficiency of a machine learning potential (MLP) …

Until recently, the consensus theoretical and computational interpretation of the liquid–liquid
phase transition (LLPT) of high-pressure hydrogen—which has proved challenging to …

The melting curve of vanadium at high pressure and temperature (PT) is of great interest to
our understanding of d-orbital transition metals with simple crystal structures at extreme PT …

We investigate the first-order liquid–liquid phase transition in fluid hydrogen, which is
accompanied by a nonmetal-to-metal transition. We use a combination of density functional …

At high pressures, simple metals such as potassium have a rich phase diagram including an
insulating electride phase in which electrons have a localized, anionic character …

We examine the metallization of fluid helium with molecular dynamics simulations based on
density functional theory. The insulator-to-metal transition is studied at densities between 1 …

Fluid polyamorphism, the existence of multiple amorphous fluid states in a single-
component system, has been observed or predicted in a variety of substances. A remarkable …