TY  - JOUR
AU  - Sutmann, G.
AU  - Stegailov, V.
TI  - Optimization of neighbor list techniques in liquid matter simulations
JO  - Journal of molecular liquids
VL  - 125
SN  - 0167-7322
CY  - New York, NY [u.a.]
PB  - Elsevier
M1  - PreJuSER-51221
PY  - 2006
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000236994000016
DO  - DOI:10.1016/j.molliq.2005.11.029
UR  - https://juser.fz-juelich.de/record/51221
ER  -