1994
Constant-pressure Monte Carlo simulations for lattice models
Publication
Publication
Europhys. Lett. , Volume 27 p. 549- 554
Computer simulations of lattice systems have not been performed under constant pressure conditions since a volume change move involving the addition or removal of a whole lattice layer has a low acceptance probability. We propose a new method to improve the efficiency of the volume change move and thus allow for the simulation of lattice systems in the isothermal-isobaric ensemble. The method is shown to predict properties for lattice polymer systems in two and three dimensions in excellent agreement with thermodynamic integration results.
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Europhys. Lett. | |
Mackie, A. D., Panagiotopoulos, A. Z., Frenkel, D., & Kumar, S. K. (1994). Constant-pressure Monte Carlo simulations for lattice models. Europhys. Lett., 27, 549–554. |