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In this paper, we discuss advanced
thermostatting techniques for sampling molecular systems in the canonical ensemble.
We first survey work on dynamical thermostatting methods, including the Nosé-Poincaré method, and generalized bath methods which introduce a more complicated extended model to obtain better ergodicity. We describe a general controlled temperature model,
() and demonstrate that it flexibly accommodates existing alternative
thermostatting methods, such as Nosé-Poincaré, Nosé-Hoover
(with...
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