In this work, the implementation of our recently proposed sequential Metropolis algorithm in the grand canonical ensemble, a case particularly relevant for continuum fluids, is considered. By performing Monte Carlo simulations for the two-dimensional lattice gas, it is shown that our algorithm converges faster than all known grand canonical algorithms that satisfy strict detailed balance. The main advantages of the new algorithm are its simplicity, generality, and the possibility of parallel implementation.
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Ren, R., O’Keeffe, C.J. & Orkoulas, G. Sequential Metropolis Algorithms for Fluid Simulations. Int J Thermophys 28, 520–535 (2007). https://doi.org/10.1007/s10765-007-0193-z
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DOI: https://doi.org/10.1007/s10765-007-0193-z