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@BOOK{Grotendorst:127337,
key = {127337},
editor = {Grotendorst, Johannes and Sutmann, Godehard and Gompper,
Gerhard and Marx, Dominik},
title = {{H}ierarchical {M}ethods for {D}ynamics in {C}omplex
{M}olecular {S}ystems},
volume = {10},
address = {Jülich},
publisher = {Forschungszentrum Jülich GmbH Zentralbibliiothek, Verlag},
reportid = {FZJ-2012-00337},
isbn = {978-3-89336-768-9},
series = {Schriften des Forschungszentrums Jülich. IAS Series},
pages = {VI, 540 S.},
year = {2012},
note = {Record converted from JUWEL: 18.07.2013},
abstract = {Generating and analyzing the dynamics of molecular systems
is a true challenge to molecular simulation. It includes
processes that happen on the femtosecond scale, such as
photoinduced nonadiabatic (bio)chemical reactions, and
touches the range of seconds, being e.g. relevant in
biophysics to cellular processes or in material sciences to
crack propagation. Thus, many orders of magnitude in time
need to be covered either concurrently or hierarchically. In
the latest edition of this series of Winter Schools in 2009
we addressed the topic of Multiscale Simulation Methods in
Molecular Sciences with a strong focus on methods which
cover diversities of length scales. The key issue of the
present school is to dwell on hierarchical methods for
dynamics having primarily in mind systems described in terms
of many atoms or molecules. One extreme end of relevant time
scales is found in the sub-femtosecond range but which
influence dynamical events which are orders of magnitude
slower. Examples for such phenomena might be photo-induced
switching of individual molecules, which results in
large-amplitude relaxation in liquids or photodriven phase
transitions of liquid crystals, phenomena for which
nonadiabatic quantum dynamics methods were developed. The
other end of relevant time scales is found in a broad range
of microseconds, seconds or beyond and which governs e.g.
non-equilibrium dynamics in polymer flows or blood cells in
complex geometries like microvessels. Special mesoscopic
techniques are applied for these time- and length-scales to
couple the atomistic nature of particles to the
hydrodynamics of flows. [...]},
cin = {ICS-2 / IAS-2 / JSC},
ddc = {500},
cid = {I:(DE-Juel1)ICS-2-20110106 / I:(DE-Juel1)IAS-2-20090406 /
I:(DE-Juel1)JSC-20090406},
pnm = {411 - Computational Science and Mathematical Methods
(POF2-411) / 451 - Soft Matter Composites (POF2-451) / 41G -
Supercomputer Facility (POF2-41G21)},
pid = {G:(DE-HGF)POF2-411 / G:(DE-HGF)POF2-451 /
G:(DE-HGF)POF2-41G21},
typ = {PUB:(DE-HGF)3},
urn = {urn:nbn:de:0001-2012020208},
url = {https://juser.fz-juelich.de/record/127337},
}