Massively parallel first-principles simulation of electron dynamics in materials

Article

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

Autores:

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

Fuentes:

scopus