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| 001 | 51221 | ||
| 005 | 20200423204329.0 | ||
| 024 | 7 | _ | |a 10.1016/j.molliq.2005.11.029 |2 DOI |
| 024 | 7 | _ | |a WOS:000236994000016 |2 WOS |
| 024 | 7 | _ | |a 2128/12124 |2 Handle |
| 037 | _ | _ | |a PreJuSER-51221 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 540 |
| 084 | _ | _ | |2 WoS |a Chemistry, Physical |
| 084 | _ | _ | |2 WoS |a Physics, Atomic, Molecular & Chemical |
| 100 | 1 | _ | |a Sutmann, G. |b 0 |u FZJ |0 P:(DE-Juel1)132274 |
| 245 | _ | _ | |a Optimization of neighbor list techniques in liquid matter simulations |
| 260 | _ | _ | |a New York, NY [u.a.] |b Elsevier |c 2006 |
| 300 | _ | _ | |a |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Journal of Molecular Liquids |x 0167-7322 |0 3559 |y 2 |v 125 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a 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. |
| 536 | _ | _ | |a Scientific Computing |c P41 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK411 |x 0 |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 653 | 2 | 0 | |2 Author |a neighbor list techniques |
| 653 | 2 | 0 | |2 Author |a liquid matter simulations |
| 653 | 2 | 0 | |2 Author |a Lennard-Jones systems |
| 700 | 1 | _ | |a Stegailov, V. |b 1 |0 P:(DE-HGF)0 |
| 773 | _ | _ | |a 10.1016/j.molliq.2005.11.029 |g Vol. 125 |q 125 |0 PERI:(DE-600)1491496-7 |t Journal of molecular liquids |v 125 |y 2006 |x 0167-7322 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1016/j.molliq.2005.11.029 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/51221/files/ib-2004-13.pdf |y OpenAccess |
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| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/51221/files/ib-2004-13.pdf?subformat=pdfa |x pdfa |y OpenAccess |
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| 913 | 1 | _ | |k P41 |v Scientific Computing |l Supercomputing |b Schlüsseltechnologien |0 G:(DE-Juel1)FUEK411 |x 0 |
| 914 | 1 | _ | |y 2006 |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 915 | _ | _ | |a JCR/ISI refereed |0 StatID:(DE-HGF)0010 |
| 920 | 1 | _ | |k ZAM |l Zentralinstitut für Angewandte Mathematik |d 31.12.2007 |g ZAM |0 I:(DE-Juel1)VDB62 |x 0 |
| 970 | _ | _ | |a VDB:(DE-Juel1)80349 |
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| 980 | _ | _ | |a ConvertedRecord |
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| 980 | _ | _ | |a UNRESTRICTED |
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| 981 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
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