Ten-fold coordinated polymorph and metallization of TiO₂ under high pressure

Superhard-Driven Search of the Covalent Network in B₃NO System

Prediction of novel crystal structures and superconductivity of compressed HBr

Systematic theoretical investigation of geometries, stabilities and magnetic properties of iron oxide clusters (FeO)_nμ (n=1-8, μ=0,±1): Insights and Perspectives

A new high-pressure polymeric nitrogen phase in potassium azide

The ground-state structure and physical properties of ReB3 and IrB3 predicted from first principles

Al₃Pd₂, a Novel Intermetallic Compound: a first-principles study

Ab-initio study of phase stability, elastic and thermodynamic properties of AlY alloy under pressure

Intriguing structures and magic sizes of heavy noble metal nanoclusters around size 55 governed by relativistic effect and covalent bonding

Structure, stability, and superconductivity of new Xe-H compounds under high pressure