Modelling and Simulation in Materials Science and Engineering · 2013 · 43 citations · 53 references
Natural SciencesChemistryMaterials ScienceMaterials ChemistryPhysical ChemistrySolid-state ChemistryAb Initio MethodsDensity Functional TheoryHydrogen AtomMetalsThermodynamic PotentialsTransition Metal ChemistryMetal HydridesMiscibilityMiscibility GapsOctahedral Interstitial SitesSolid-solution ThermodynamicsTetrahedral Interstitial SitesThermodynamics Of Ternary AlloysTransition State Structure
Abstract not provided.
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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
A Simplex Method for Function Minimization
J. A. Nelder, R. Mead · The Computer Journal · 1965 · 28.9K citations
Introduction to Solid State Physics
C. Kittel, Heng Fan · American Journal of Physics · 1957 · 22.4K citations