Magnetic phase diagram of the Fe–Ni system

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

Algebraic Representation of Thermodynamic Properties and the Classification of Solutions

O. Redlich, A. T. Kister · Industrial & Engineering Chemistry · 1948 · 5.8K citations

Natural Sciences, Chemistry, Physics +11

Coherent-Potential Model of Substitutional Disordered Alloys

Paul Soven · Physical Review · 1967 · 2.7K citations

Natural Sciences, Materials Science, Physics +10

Computational thermodynamics: the Calphad method

Choice Reviews Online · 2008 · 1.1K citations

Natural Sciences, Materials Engineering, Materials Science +17