Carbon · 2021 · 75 citations · 47 references
EngineeringPhysic Aware Machine LearningMaterial SimulationApplied PhysicsMaterial ModelingCarbon MaterialsNanoscale ModelingAtomistic SimulationChemistryMolecular Dynamics
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Projector augmented-wave method
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations
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