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In complex systems such as spin systems and protein systems, conventional simulations in the canonical ensemble will get trapped in states of energy local minima. We employ the generalized-ensemble algorithms in order to overcome this multiple-minima problem. Three well-known generalized-ensemble algorithms, namely, multicanonical algorithm, simulated tempering, and replica-exchange method, are described. We then present three new generalized-ensemble algorithms based on the combinations of the three methods. Effectiveness of the new methods are tested with a Potts model and protein systems.
The generalized Gibbs ensemble (GGE), which involves multiple conserved quantities other than the Hamiltonian, has served as the statistical-mechanical description of the long-time behavior for several isolated integrable quantum systems. The GGE may
We review uses of the generalized-ensemble algorithms for free-energy calculations in protein folding. Two of the well-known methods are multicanonical algorithm and replica-exchange method; the latter is also referred to as parallel tempering. We pr
Our review covers microscopic foundations of generalized hydrodynamics (GHD). As one generic approach we develop form factor expansions, for ground states and generalized Gibbs ensembles (GGE), and compare the so obtained results with predictions fro
Completely open systems can exchange heat, work, and matter with the environment. While energy, volume, and number of particles fluctuate under completely open conditions, the equilibrium states of the system, if they exist, can be specified using th
The asymptotic equivalence of canonical and microcanonical ensembles is a central concept in statistical physics, with important consequences for both theoretical research and practical applications. However, this property breaks down under certain c