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Monte Carlo simulation of a model of water

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 14 Oct 2005Embargo end date: 01 Jun 2005 English Publisher:American Physical Society (APS)Journal:Physical Review E, volume 72 (issn: 1539-3755, eissn: 1550-2376, Copyright policy )
Authors: Maggs, A. C.;

doi: 10.1103/physreve.72.040201 , 10.48550/arxiv.cond-mat/0506306

pmid: 16383351

arXiv: cond-mat/0506306

Monte Carlo simulation of a model of water

Abstract

We simulate TIP3P water using a constrained Monte Carlo algorithm to generate electrostatic interactions eliminating the need to sum over long ranged Coulomb interactions. We study discretization errors when interpolating charges using splines and Gaussians. We compare our implementation to molecular dynamics and Brownian dynamics codes.

4 pages 2 figures

Related Organizations
Keywords

Statistical Mechanics (cond-mat.stat-mech), Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 9
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
9
Average
Average
Average
Green
bronze