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 …

Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …

Motivated by the recent report of room-temperature superconductivity at near-ambient
pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the …

Understanding the direct transformation from graphite to diamond has been a long-standing
challenge with great scientific and practical importance. Previously proposed transformation …

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 discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

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 …

Here we report the high-pressure synthesis of a series of lanthanum–yttrium ternary
hydrides obtained at pressures of 170–196 GPa via the laser heating of P6 3/mmc La–Y …

Based on evolutionary search and first-principles calculations, we predict for B8Si4
structural stability in terms of cohesive energy, phonon spectrum, and melting point. The size …

Pressure‐stabilized hydrides are a new rapidly growing class of high‐temperature
superconductors, which is believed to be described within the conventional phonon …