Contour forward flux sampling: Sampling rare events along multiple collective variables
نویسندگان
چکیده
منابع مشابه
Forward flux sampling for rare event simulations.
Rare events are ubiquitous in many different fields, yet they are notoriously difficult to simulate because few, if any, events are observed in a conventional simulation run. Over the past several decades, specialized simulation methods have been developed to overcome this problem. We review one recently developed class of such methods, known as forward flux sampling. Forward flux sampling uses...
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We present a method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform sampling of trajectories in phase space and time, leading to accurate estimates for time-dependent switching propensities and time-dependent phase space probability...
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We describe a novel software platform called Scalable Forward Flux Sampling (ScaFFS) developed by our team to perform large scale forward flux sampling (FFS) calculations. FFS is an advanced sampling technique developed to enhance the sampling of rare events in molecular simulations. Rare events, by definition, are events that have very low probability of occurring in the typical observation ti...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2019
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5063358