The Minima Hopping global optimization method uses physically realizable molecular dynamics moves in combination with an energy feedback that guarantees the escape from any potential energy funnel. For the purpose of finding reaction pathways, we argue that Minima Hopping is particularly suitable as a guide through the potential energy landscape and as a generator for pairs of minima that can b...

We introduce the smoothed analysis of algorithms, which continuously interpolates between the worst-case and average-case analyses of algorithms. In smoothed analysis, we measure the maximum over inputs of the expected performance of an algorithm under small random perturbations of that input. We measure this performance in terms of both the input size and the magnitude of the perturbations. We...

We introduce the smoothed analysis of algorithms, which is a hybrid of the worst-case and average-case analysis of algorithms. In smoothed analysis, we measure the maximum over inputs of the expected performance of an algorithm under small random perturbations of that input. We measure this performance in terms of both the input size and the magnitude of the perturbations. We show that the simp...