Documentos de Draeger E.W. | REDI

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Filtros aplicados

Objetivos de Desarrollo Sostenible: "ODS 9: Industria, innovación e infraestructura"

Subtipo de publicación

Publisher

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)

Área temáticas

Ciencias de la computación(2)

Electricidad y electrónica(2)

Física aplicada(2)

Química inorgánica(2)

Área de conocimiento

Ciencia de materiales(3)

Simulación por computadora(3)

Mecánica cuántica(1)

Semiconductor(1)

Objetivos de Desarrollo Sostenible

ODS 17: Alianzas para lograr los objetivos(4)

ODS 4: Educación de calidad(2)

ODS 8: Trabajo decente y crecimiento económico(2)

ODS 12: Producción y consumo responsables(1)

ODS 7: Energía asequible y no contaminante(1)

Año de Publicación

Origen

Palabras Claves

Electron dynamics(1)

Explicit time integration(1)

Isochoric heating(1)

Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State

Abstract: We use time-dependent density functional theory to study self-irradiated Si. We calculate the electr

Palabras claves:

Alfredo A. Correa, Draeger E.W., Foulkes W.M.C., Horsfield A.P., Lim A., Mason D.R., Schleife A.

Quantum dynamics simulation of electrons in materials on high-performance computers

Abstract: Advancement in high-performance computing allows us to calculate properties of increasingly complex

Palabras claves:

computational materials science, high-performance computing, Hpc, quantum electron dynamics, scientific computing

Alfredo A. Correa, Anisimov V., Draeger E.W., Kanai Y., Schleife A.

Massively parallel first-principles simulation of electron dynamics in materials

Abstract: We present a highly scalable, parallel implementation of first-principles electron dynamics coupled

Palabras claves:

Blue Gene/Q, Electron dynamics, Explicit time integration, TDDFT

Alfredo A. Correa, Andrade X., Bhatele A., Draeger E.W., Gunnels J.A., Schleife A.

Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations

Abstract: Explicit integrators for real-time propagation of time-dependent Kohn-Sham equations are compared re

Palabras claves:

Alfredo A. Correa, Draeger E.W., Kanai Y., Schleife A.

Warm dense matter created by isochoric laser heating

Abstract: Warm Dense Matter (WDM) physics has been a growing field of high energy density physics, driven by t

Palabras claves:

Isochoric heating, Short pulse laser, Warm Dense Matter

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.