%0 Journal Article
%A Sutmann, G.
%A Stegailov, V.
%T Optimization of neighbor list techniques in liquid matter simulations
%J Journal of molecular liquids
%V 125
%@ 0167-7322
%C New York, NY [u.a.]
%I Elsevier
%M PreJuSER-51221
%D 2006
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000236994000016
%R 10.1016/j.molliq.2005.11.029
%U https://juser.fz-juelich.de/record/51221