Nature Materials · 2008 · 579 citations · 29 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsSolid State PhysicsCrystal GrowthCrystallization ProcessesMemory DevicesNucleationPhase ChangePhase TransitionsCrystallizationMemory MaterialsPhase-change BehaviorPhase-change MaterialsPhase-change Memory
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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
<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
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text