From multidimensional replica-exchange method to multidimensional multicanonical algorithm and simulated tempering.

@article{Mitsutake2009FromMR,
  title={From multidimensional replica-exchange method to multidimensional multicanonical algorithm and simulated tempering.},
  author={Ayori Mitsutake and Yuko Okamoto},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2009},
  volume={79 4 Pt 2},
  pages={
          047701
        }
}
We discuss multidimensional generalizations of multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential-energy function E0 by adding any physical quantity V of interest as a new energy term with a coupling constant lambda. We then perform a multidimensional multicanonical simulation where a random walk in E0 and V spaces is realized. We can alternately perform a multidimensional simulated-tempering simulation where a random walk in… CONTINUE READING

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