Recent molecular dynamics simulations of water transport through the interior channel of a carbon nanotube in contact with an aqueous reservoir showed that conduction occurred in bursts with collective water motion. A continuous-time random-walk model is used to describe concerted transport through channels densely filled with molecules in a single-file arrangement, as also found in zeolites, as well as ion channels and aquaporins in biological membranes. Theoretical predictions for different collective properties of the single-file transport agree with the simulation results.

For multidimensional activated rate processes controlled by diffusive crossing of a saddle point region, we show that a one-dimensional reaction coordinate can be constructed even when the diffusion anisotropy is arbitrary. The rate constant, found using the potential of mean force along this coordinate, is identical to that predicted by the multidimensional Kramers-Langer theory. This reaction coordinate minimizes the one-dimensional rate constant obtained using a trial reaction coordinate and is orthogonal to the stochastic separatrix, the transition state that separates reactants from products.

The reactive flux between folded and unfolded states of a two-state protein, whose coarse-grained dynamics is described by a master equation, is expressed in terms of the commitment or splitting probabilities of the microstates in the bottleneck region. This allows one to determine how much each transition through a dividing surface contributes to the reactive flux. By repeating the analysis for a series of dividing surfaces or, alternatively, by partitioning the reactive flux into contributions of unidirectional pathways that connect reactants and products, insight can be gained into the mechanism of protein folding. Our results for the flux in a network with complex connectivity, obtained using the discrete counterpart of Kramers' theory of activated rate processes, show that the number of reactive transitions is typically much smaller than the total number of transitions that cross a dividing surface at equilibrium.