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Article(3)
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Computing in Science and Engineering(1)
Journal of Parallel and Distributed Computing(1)
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Electricidad y electrónica(2)
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scopus(3)
Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State
ArticleAbstract: We use time-dependent density functional theory to study self-irradiated Si. We calculate the electrPalabras claves:Autores:Alfredo A. Correa, Draeger E.W., Foulkes W.M.C., Horsfield A.P., Lim A., Mason D.R., Schleife A.Fuentes:scopusMassively parallel first-principles simulation of electron dynamics in materials
ArticleAbstract: We present a highly scalable, parallel implementation of first-principles electron dynamics coupledPalabras claves:Blue Gene/Q, Electron dynamics, Explicit time integration, TDDFTAutores:Alfredo A. Correa, Andrade X., Bhatele A., Draeger E.W., Gunnels J.A., Schleife A.Fuentes:scopusQuantum dynamics simulation of electrons in materials on high-performance computers
ArticleAbstract: Advancement in high-performance computing allows us to calculate properties of increasingly complexPalabras claves:computational materials science, high-performance computing, Hpc, quantum electron dynamics, scientific computingAutores:Alfredo A. Correa, Anisimov V., Draeger E.W., Kanai Y., Schleife A.Fuentes:scopus