Finely discretized lattice simulations of SPC/E water

Lock, Carrie S.; Moghaddam, Sarvin; Panagiotopoulos, Athanassios Z.

doi:10.1016/j.fluid.2004.06.019

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Cited by 2 publications

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“…While we have succeeded in reducing the crossover temperature T c by a factor 1/w 2 we have also changed the physical length scale by a factor w. The final result is only a factor w improvement in T c when measured in physical units; a lattice algorithm suitable for condensed matter simulation would require w ≈ 20. Such fine discretization has been used in lattice models to reproduce correctly thermodynamical proper- ties of some systems [18,19]. However for cases where this is not required, one might prefer to avoid such large w. We now explore methods of moving charges which do not require permanent spreading so that the effective length scale in the simulation is not modified.…”

Section: Extended Chargesmentioning

confidence: 99%

Monte Carlo algorithms for charged lattice gases

Levrel

Maggs

2005

Phys. Rev. E

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We consider Monte Carlo algorithms for the simulation of charged lattice gases with purely local dynamics. We study the mobility of particles as a function of temperature and show that the poor mobility of particles at low temperatures is due to "trails" or "strings" left behind after particle motion. We introduce modified updates which substantially improve the efficiency of the algorithm in this regime.

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Section: Extended Chargesmentioning

confidence: 99%