The alloy theoretic automated toolkit: A user guide

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

Natural Sciences, Chemistry, Materials Science +14

A Theory of Cooperative Phenomena

Ryoichi Kikuchi · Physical Review · 1951 · 1.9K citations

Natural Sciences, Physics, Condensed Matter Physics +16

Generalized cluster description of multicomponent systems

J. M. Sánchez, F. Ducastelle, D. Gratias · Physica A Statistical Mechanics and its Applications · 1984 · 1.8K citations

Natural Sciences, Systems Engineering, Multiscale Modeling +4

Density-functional theory applied to phase transformations in transition-metal alloys

John Connolly, A. R. Williams · Physical review. B, Condensed matter · 1983 · 1K citations

Natural Sciences, Materials Science, Physics +14