Transition Path Sampling (TPS) Library

TPS Transition path sampling (TPS) is method used to study rare events in molecular simulations. The simulation of rare events requires specialized techniques, many of which have been developed recently. Our aim is to incorporate these new techniques into a standard simulation toolkit that can be used broadly within the chemical sciences.

Current Status

The TPS library has been under development for a few months. We have implemented the following features so far: