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 …

It is essential to know the arrangement of the atoms in a material in order to compute and
understand its properties. Searching for stable structures of materials using first-principles …

We have developed an efficient and reliable methodology for crystal structure prediction,
merging ab initio total-energy calculations and a specifically devised evolutionary algorithm …

Producing metallic hydrogen has been a great challenge in condensed matter physics.
Metallic hydrogen may be a room-temperature superconductor and metastable when the …

Hydrogen has been an essential element in the development of atomic, molecular and
condensed matter physics. It is predicted that hydrogen should have a metal state; however …

Pressure has long been recognized as a fundamental thermodynamic variable but its
application was previously limited by the available pressure vessels and probes. The …

Hydrogen, being the first element in the periodic table, has the simplest electronic structure
of any atom, and the hydrogen molecule contains the simplest covalent chemical bond …

Hydrogen and helium are the most abundant elements in the Universe. They are also, in
principle, the most simple. Nonetheless, they display remarkable properties under extreme …

In order to develop an optical method for pressure determination in the multimegabar region,
the first-order Raman spectra of diamond anvils were investigated at pressures up to 310 …

The high-pressure phases and superconductivity of CaYH 12 have been explored by using
a particle swarm optimization structure prediction methodology in combination with first …