Transition path sampling algorithms

Just as in a conventional Monte Carlo simulation, correct sampling of the transition path ensemble is enforced by requiring that the algorithm obeys the detailed balance condition. More specifically, the probability n [ZW( ) - z(n)( )]2 to move from an old path z ° 22) to a new one " (2/ ) in a Monte Carlo step must be exactly balanced by the probability of the reverse move from 22) to z<,J> 22)... 

The rest of the paper is organized as follows In Section 2, we briefly present the theoretical formulation and the algorithm for sampling transition paths and evaluating the corresponding prefactors. In Section 3, we discuss the numerical results for LJ7. In Section 4, we provide a summary. 

Preceding sections have described the most efficient algorithms we have devised to sample transition paths in complex systems. Other algorithms, while sound in principle, are far less efficient than shooting and shifting. For completeness, we discuss these less efficient algorithms briefly. 

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