Solid State Communications · 2018 · 42 citations · 44 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational Materials ScienceMaterials PhysicsSolid State PhysicsAb Initio MethodsIntermetallic CompoundsMaterial ModelingMetalsThermal Properties Of MaterialsBand Gap PredictionDislocation MechanismsFirst-principles ModelingKnowledge Of First PrinciplesPhase Structure PredictionPhysical Properties
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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
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First principles phonon calculations in materials science
Atsushi Togo, Isao Tanaka · Scripta Materialia · 2015 · 11.3K citations · Full text
Hydrogen-storage materials for mobile applications
L. Schlapbach, Andreas Züttel · Nature · 2001 · 8.7K citations · Full text
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