Analysis of transition rates from variational flooding using analytical theory.

Variational flooding is an enhanced sampling method for obtaining kinetic rates from molecular dynamics simulations. This method is inspired by the idea of conformational flooding that employs a boost potential acting along a chosen reaction coordinate to accelerate rare events. In this work, we show how the empirical distribution of crossing times from variational flooding simulations can be modeled with analytical Kramers' time-dependent rate (KTR) theory.