Harri Mökkönen

TL;DR: In this article, a modified version of the iso-flux tension propagation theory, and extensive molecular dynamics simulations were used to study the driven translocation of a semi-flexible polymer through a nanopore.

TL;DR: TST with dynamical corrections based on short time trajectories started at the transition state gives rate constant estimates that agree within a factor of two with the molecular dynamics simulations over a wide range of bead coupling constants and polymer lengths.

TL;DR: In this paper, an efficient method for evaluating the recrossing correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product is presented.

TL;DR: An efficient method is presented for evaluating the recrossing correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product.

TL;DR: The rate of escape of polymers from a two-dimensionally confining potential well has been evaluated using self-avoiding as well as ideal chain representations of varying length, up to 80 beads to show that the description of a transition state dividing surface using only the centroid fails to confine the system to the region corresponding to the free energy barrier.