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Application to transition path sampling

In this section, we will discuss two applications of parallel tempering in path ensemble simulations  [Pg.97]

Simulation at different temperatures. When paths are sampled in the canonical ensemble, i.e. [Pg.97]

Umbrella sampling. To compute P (A,t), it is sometimes advantageous to define overlapping regions Bt by [Pg.97]

Of course, both techniques can also be combined to sample P (A,t, (3) for different overlapping regional B and different temperatures pt in a single simulation. [Pg.97]


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Path sampling

Sample application

Sample applicator

Transition applications

Transition path sampling

Transition path sampling applications

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