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Massive Computation for Femtosecond Dynamics in Condensed Matters

In: Sustained Simulation Performance 2012

Author

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  • Yoshiyuki Miyamoto

    (National Institute of Advanced Industrial Science and Technology (AIST), Nanosystem Res. Institute)

Abstract

In this report, numerical simulation on non-thermal dynamics in condensed matters conducted by femtosecond laser shot is presented. Electron–ion dynamics was treated within the framework of the time-dependent density functional theory for electrons coupled with classical molecular dynamics for ions. The formalisms and application of this simulation to photo-exfoliation of graphene from graphite surface and photo-disintegration of molecules inside a carbon nanotube are presented. Heavy tasks for memory access in this simulation scheme will also be mentioned.

Suggested Citation

  • Yoshiyuki Miyamoto, 2013. "Massive Computation for Femtosecond Dynamics in Condensed Matters," Springer Books, in: Michael M. Resch & Xin Wang & Wolfgang Bez & Erich Focht & Hiroaki Kobayashi (ed.), Sustained Simulation Performance 2012, edition 127, pages 155-168, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-32454-3_13
    DOI: 10.1007/978-3-642-32454-3_13
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