Over 99% of the observable universe is made of plasma. About 71% of the planet we live on
is covered by liquid. Yet, the interaction between both states of matter does not occur so …

The theoretical exploration of the phase diagrams of binary hydrides under pressure using
ab initio crystal structure prediction techniques coupled with first principles calculations has …

Cubic gauche nitrogen (cg-N) has received wide attention for its exceptionally high energy
density and environmental friendliness. However, traditional synthesis methods for cg-N …

First-principles calculations coupled with evolutionary algorithms have been employed to
predict the structures of hydrides of the alkali metals and alkaline earth metals under …

Experimental studies of compressed matter are now routinely conducted at pressures
exceeding 1 mln atm (100 GPa) and occasionally at pressures greater than 10 mln atm (1 …

Evolutionary structure searches are used to predict stable phases with unique
stoichiometries in the hydrogen-rich region of the magnesium/hydrogen phase diagram …

Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-
MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that …

The phase diagram and equation of state of dense nitrogen are of interest in understanding
the fundamental physics and chemistry under extreme conditions, including planetary …

We study properties of nitrogen at high pressure and temperature (100–120 GPa, 2000–
3000 K) where molecular and polymeric phases compete both in solid and liquid phase. We …

The structures of the strontium polyhydrides, SrH n with n> 2, under pressure are studied
using evolutionary algorithms coupled with density functional theory calculations. A number …