Calphad · 2017 · 17 citations · 30 references
Thermodynamic ModellingEngineeringPhysicsNumerical SimulationCondensed Matter PhysicsApplied PhysicsEquilibrium ThermodynamicsTransport PhenomenaThermodynamicsThermodynamic Equilibrium
30
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations
Special quasirandom structures
Alex Zunger, Su‐Huai Wei, L. G. Ferreira et al. · Physical Review Letters · 1990 · 3.7K citations
Materials Science, Engineering, Special Quasirandom Structures +14