Atomistic simulations of interaction between basal <a> dislocations and three-dimensional twins in magnesium

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

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

Natural Sciences, Chemistry, Physics +17

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

Natural Sciences, Chemistry, Physics +16

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

Georg Kresse, J. Häfner · Journal of Physics Condensed Matter · 1994 · 3.9K citations

Natural Sciences, Physics, Computational Chemistry +11

Deformation twinning

J. W. Christian, S. Mahajan · Progress in Materials Science · 1995 · 3.5K citations