2.4k citations · 5k across the 28 of their papers we have counts for
3 papers · 1 filter
Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier
Harri Mökkönen, Tapio Ala-Nissila, Hannes Jónsson
The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example,…
Polymer escape from a confining potential
Harri Mökkönen, Timo Ikonen, Tapio Ala-Nissila +1
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…
Transition State Theory Approach to Polymer Escape from a One Dimensional Potential Well
Harri Mökkönen, Timo Ikonen, Tapio Ala-Nissila +1
The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynam…