Stochastic systems often exhibit multiple viable metastable states that are long-lived. Over very long timescales, fluctuations may push the system to transition between them, drastically changing its macroscopic configuration. In realistic systems, these transitions can happen via multiple physical mechanisms, corresponding to multiple distinct transition channels for a pair of states. In this paper, we use the fact that the transition path ensemble is equivalent to the invariant measure of a gradient flow in pathspace, which can be efficiently sampled via metadynamics. We demonstrate how this pathspace metadynamics, previously restricted to reversible molecular dynamics, is in fact very generally applicable to metastable stochastic system...
Metastability is a physical phenomenon ubiquitous in first order phase transitions. A fruitful mathe...
Metadynamics is an atomistic simulation technique that allows, within the same framework, accelerati...
We present a novel method for the identification of the most important metastable states of a system...
Stochastic systems often exhibit multiple viable metastable states that are long-lived. Over very lo...
Molecular systems often remain trapped for long times around some local minimum of the potential ene...
The problem of flickering trajectories in standard kinetic Monte Carlo (kMC) simulations prohibits s...
Using tools of statistical mechanics, it is routine to average over the distribution of microscopic ...
Rare transitions in stochastic processes often can be rigorously described via an underlying large d...
Transition phenomena between metastable states play an important role in complex systems due to nois...
Metastability is a physical phenomenon ubiquitous in first order phase transitions. A fruitful mat...
[EN] Statistical mechanics is a physics theory that deals with ensembles of microstates of a system ...
We propose a transition path sampling (TPS) scheme designed to enhance sampling in systems with mult...
In this work, we consider the numerical estimation of the probability for a stochastic process to hi...
Metastability is a physical phenomenon ubiquitous in first order phase transitions. A fruitful mathe...
Metadynamics is an atomistic simulation technique that allows, within the same framework, accelerati...
We present a novel method for the identification of the most important metastable states of a system...
Stochastic systems often exhibit multiple viable metastable states that are long-lived. Over very lo...
Molecular systems often remain trapped for long times around some local minimum of the potential ene...
The problem of flickering trajectories in standard kinetic Monte Carlo (kMC) simulations prohibits s...
Using tools of statistical mechanics, it is routine to average over the distribution of microscopic ...
Rare transitions in stochastic processes often can be rigorously described via an underlying large d...
Transition phenomena between metastable states play an important role in complex systems due to nois...
Metastability is a physical phenomenon ubiquitous in first order phase transitions. A fruitful mat...
[EN] Statistical mechanics is a physics theory that deals with ensembles of microstates of a system ...
We propose a transition path sampling (TPS) scheme designed to enhance sampling in systems with mult...
In this work, we consider the numerical estimation of the probability for a stochastic process to hi...
Metastability is a physical phenomenon ubiquitous in first order phase transitions. A fruitful mathe...
Metadynamics is an atomistic simulation technique that allows, within the same framework, accelerati...
We present a novel method for the identification of the most important metastable states of a system...