49 citations · 97 across the 5 of their papers we have counts for
5 papers
Importance sampling of unbounded random stopping times: computing committor functions and exit rates without reweighting
Carsten Hartmann, Annika Jöster, Christof Schütte +2
Rare events in molecular dynamics are often related to noise-induced transitions between different macroscopic states (e.g., in protein folding). A common feature of these rare tra…
Mean-field optimal control with stochastic leaders
Sebastian Zimper, Ana Djurdjevac, Carsten Hartmann +2
We consider interacting agent systems with a large number of stochastic agents influenced by a fixed number of external stochastic lead agents. Such settings arise, for example in…
Risk-neutral limit of adaptive importance sampling of random stopping times
Carsten Hartmann, Annika Jöster
We discuss importance sampling of exit problems that involve unbounded stopping times; examples are mean first passage times, transition rates or committor probabilities in molecul…
Girsanov reweighting for path ensembles and Markov state models
Luca Donati, Carsten Hartmann, Bettina G. Keller
The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules.We present…
Efficient Rare Event Simulation by Optimal Nonequilibrium Forcing
Carsten Hartmann, Christof Schütte
Rare event simulation and estimation for systems in equilibrium are among the most challenging topics in molecular dynamics. As was shown by Jarzynski and others, nonequilibrium fo…