Massive Computation for Femtosecond Dynamics in Condensed Matters

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

A chapter in Sustained Simulation Performance 2012, 2013, pp 155-168 from Springer

Abstract: 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.

Keywords: Femtosecond Laser; Laser Field; Sham Equation; Graphene Exfoliation; Discretized Grid Point (search for similar items in EconPapers)
Date: 2013
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-32454-3_13

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DOI: 10.1007/978-3-642-32454-3_13

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