Monte Carlo Simulation of a Model of Water

Details Monte Carlo Simulation of a Model of Water Monte Carlo Simulation of a Model of Water

2005-06-14

arxiv.org/abs/cond-mat/0506306v1

Physics

Condensed Matter

Soft Condensed Matter

4 pages 2 figures

Scientific paper

10.1103/PhysRevE.72.040201

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.

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