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@ARTICLE{Rittich:877487,
author = {Rittich, Hannah and Speck, Robert},
title = {{T}ime-parallel simulation of the {S}chrödinger
{E}quation},
journal = {Computer physics communications},
volume = {255},
issn = {0010-4655},
publisher = {Elsevier},
reportid = {FZJ-2020-02239},
pages = {107363 -},
year = {2020},
abstract = {The numerical simulation of the time-dependent Schrödinger
equation for quantum systems is a very active research
topic. Yet, resolving the solution sufficiently in space and
time is challenging and mandates the use of modern
high-performance computing systems. While classical
parallelization techniques in space can reduce the runtime
per time step, novel parallel-in-time integrators expose
parallelism in the temporal domain. They work, however, not
very well for wave-type problems such as the Schrödinger
equation. One notable exception is the rational
approximation of exponential integrators. In this paper we
derive an efficient variant of this approach suitable for
the complex-valued Schrödinger equation. Using the
Faber–Carathéodory–Fejér approximation, this variant
is already a fast serial and in particular an efficient
time-parallel integrator. It can be used to augment
classical parallelization in space and we show the
efficiency and effectiveness of our method along the lines
of two challenging, realistic examples.},
cin = {JSC},
ddc = {530},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {511 - Computational Science and Mathematical Methods
(POF3-511) / DFG project 450829162 - Raum-Zeit-parallele
Simulation multimodale Energiesystemen (450829162)},
pid = {G:(DE-HGF)POF3-511 / G:(GEPRIS)450829162},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000541251400012},
doi = {10.1016/j.cpc.2020.107363},
url = {https://juser.fz-juelich.de/record/877487},
}