Rare events, path sampling and the OpenPathSampling package
In the last few years, modelling of rare events has made tremendous progress and several computational methods have been put forward to study these events. Despite this effort, new approaches have not yet been included, with adequate efficiency and scalability, in common simulation packages. One objective of the Classical Dynamics Work Package of the project E-CAM is to close this gap. The present text is an easy-to-read article on the use of path sampling methods to study rare events, and the role of the OpenPathSampling package to performing these simulations. Practical applications of rare events sampling and scalabilities opportunities in OpenPathSampling are also discussed.
