2005Physical Review EOpen access

Reweighting for nonequilibrium Markov processes using sequential importance sampling methods

Hwee Kuan Lee, Yutaka Okabe

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Abstract

We present a generic reweighting method for nonequilibrium Markov processes. With nonequilibrium Monte Carlo simulations at a single temperature, one calculates the time evolution of physical quantities at different temperatures, which greatly saves computational time. Using the dynamical finite-size scaling analysis for the nonequilibrium relaxation, one can study the dynamical properties of phase transitions together with the equilibrium ones. We demonstrate the procedure for the Ising model with the Metropolis algorithm, but the present formalism is general and can be applied to a variety of systems as well as with different Monte Carlo update schemes.

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We present a generic reweighting method for nonequilibrium Markov processes. With nonequilibrium Monte Carlo simulations at a single temperature, one calculates the time evolution of physical quantities at different temperatures, which greatly saves computational time. Using the dynamical finite-size scaling analysis for the nonequilibrium relaxation, one can study the dynamical properties of phase transitions together with the equilibrium ones. We demonstrate the procedure for the Ising model with the Metropolis algorithm, but the present formalism is general and can be applied to a variety of systems as well as with different Monte Carlo update schemes.

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Available abstract

We present a generic reweighting method for nonequilibrium Markov processes. With nonequilibrium Monte Carlo simulations at a single temperature, one calculates the time evolution of physical quantities at different temperatures, which greatly saves computational time. Using the dynamical finite-size scaling analysis for the nonequilibrium relaxation, one can study the dynamical properties of phase transitions together with the equilibrium ones. We demonstrate the procedure for the Ising model with the Metropolis algorithm, but the present formalism is general and can be applied to a variety of systems as well as with different Monte Carlo update schemes.

Key concepts: Statistical physics, Non-equilibrium thermodynamics, Monte Carlo method, Ising model, Scaling, Monte Carlo molecular modeling, Monte Carlo method in statistical physics, Parallel tempering

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