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@ARTICLE{Sutmann:51221,
author = {Sutmann, G. and Stegailov, V.},
title = {{O}ptimization of neighbor list techniques in liquid matter
simulations},
journal = {Journal of molecular liquids},
volume = {125},
issn = {0167-7322},
address = {New York, NY [u.a.]},
publisher = {Elsevier},
reportid = {PreJuSER-51221},
year = {2006},
note = {Record converted from VDB: 12.11.2012},
abstract = {The performance of neighbor list techniques in molecular
dynamics simulations depends on a variety of parameters,
which may be adjusted for maximum efficiency. Here, a model
is presented which allows to choose optimal parameters for
the performance of Verlet- and linked-cell lists. In several
cases, an efficiency gain of approximate to $50\%$ is found
if parameters are chosen adequately. Test cases are
presented for Lennard-Jones systems at different state
points. Good agreement between analytical model and
simulation results is found. (c) 2005 Elsevier B.V All
rights reserved.},
keywords = {J (WoSType)},
cin = {ZAM},
ddc = {540},
cid = {I:(DE-Juel1)VDB62},
pnm = {Scientific Computing},
pid = {G:(DE-Juel1)FUEK411},
shelfmark = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
Chemical},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000236994000016},
doi = {10.1016/j.molliq.2005.11.029},
url = {https://juser.fz-juelich.de/record/51221},
}