First-Principles Study of High-Pressure Phase Stability and Electron Properties of Be-P Compounds

Investigations of Structural, Electronic and Magnetic Properties of MnSe under High Pressure

Unconventional Stoichiometries of Na–O Compounds at High Pressures

Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method

New Insights into Phase Separation of Cerium Hydrides under Pressure

Superconducting Li₁₀Se electride under pressure

Structural and electro-catalytic properties of copper clusters: a study via deep learning and first principles

Pressure-induced structure, elasticity, intrinsic hardness and ideal strength of tetragonal C₄N

Pressure-Induced Evolution of Crystal and Electronic Structure of Neptunium Hydrides

Highly stable actinide(III) complexes supported by doubly aromatic ligands