Computer simulations provide a vehicle for understanding many of the key concepts in
statistical mechanics. Most simulations are based on either Monte Carlo or molecular dynamics
algorithms. In Monte Carlo simulations the configurations are sampled according
to the appropriate probability distribution, and averages are computed from these configurations.
One of the most influential Monte Carlo algorithms is the Metropolis algorithm
whose 50th anniversary was celebrated in 2003. This algorithm simulates a system at constant
temperature T, volume V , and number of particles N, that is, it samples configurations
in the canonical ensemble. We summarize it here so that the reader can see how it relates
to the demon algorithm which we will describe next...........
statistical mechanics. Most simulations are based on either Monte Carlo or molecular dynamics
algorithms. In Monte Carlo simulations the configurations are sampled according
to the appropriate probability distribution, and averages are computed from these configurations.
One of the most influential Monte Carlo algorithms is the Metropolis algorithm
whose 50th anniversary was celebrated in 2003. This algorithm simulates a system at constant
temperature T, volume V , and number of particles N, that is, it samples configurations
in the canonical ensemble. We summarize it here so that the reader can see how it relates
to the demon algorithm which we will describe next...........
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