Concepedia
Progress in Materials Science · 2009 · 443 citations · 60 references
Natural SciencesMaterials EngineeringMaterials ScienceMechanical Behavior Of MaterialsMetallurgyStructural MaterialsAlloysHigh-temperature MaterialsMetalsMicrostructure ControlMicrostructure EvolutionNickel-based SuperalloysDislocation MechanismsSuperalloys
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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
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations
Natural Sciences, Chemistry, Physics +17
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 simulation of the liquid-metal–amorphous-semiconductor transition in germanium
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations
Natural Sciences, Materials Science, Physics +17
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations