Now showing items 1-2 of 2
A Mathematical Theory of Optimal Milestoning (with a Detour via Exact Milestoning)
Milestoning is a computational procedure that reduces the dynamics of complex systems to memoryless jumps between intermediates, or milestones, and only retains some information about the probability of these jumps and the ...
Methodological and computational aspects of parallel tempering methods in the infinite swapping limit
A variant of the parallel tempering method is proposed in terms of a stochastic switching process for the coupled dynamics of replica configuration and temperature permutation. This formulation is shown to facilitate the ...