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Computing in Science and Engineering(1)
High Energy Density Physics(1)
Journal of Chemical Physics(1)
Journal of Parallel and Distributed Computing(1)
Physical Review Letters(1)
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Ciencias de la computación(2)
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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:scopusWarm dense matter created by isochoric laser heating
ArticleAbstract: Warm Dense Matter (WDM) physics has been a growing field of high energy density physics, driven by tPalabras claves:Isochoric heating, Short pulse laser, Warm Dense MatterAutores:Alfredo A. Correa, Ao T., Collins G.W., Draeger E.W., Hanson D., Koslow I., Lee E., Ng A., Ogitsu T., Ping Y., Prendergast D.G., Price D.F., Schwegler E., Springer P.T., Tam H., Widmann K.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:scopusPlane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations
ArticleAbstract: Explicit integrators for real-time propagation of time-dependent Kohn-Sham equations are compared rePalabras claves:Autores:Alfredo A. Correa, Draeger E.W., Kanai Y., Schleife A.Fuentes:scopus