Pseudopotential
Band gap
Bulk modulus
Density functional theory
Thermodynamics
Lattice constant
Materials science
Electronic band structure
Phase diagram
Local-density approximation
Direct and indirect band gaps
Condensed matter physics
Enthalpy
Enthalpy of mixing
Alloy
Phase (matter)
Chemistry
Computational chemistry
Physics
Diffraction
Organic chemistry
Optics
Composite material
