CHAMPS – Workshop on “Discovering Phase Space Structure and Reaction Mechanisms from Trajectory Data Sets”
Tuesday 19th March 2019
Trajectories generated by Hamilton’s equations are a fundamental quantity for understanding reaction mechanisms in chemistry. Trajectories are an inherently phase space object, i.e. they describe the change in configuration space coordinates and momentum coordinates. Consequently, their behaviour is governed by phase space structures. Theoretical and computational advances now allow the generation of large sets of trajectories. Consequently, there has been significant activity in recent years in developing theoretical and computational strategies for discovering “structure” in these data sets. This is a “first of its kind” workshop that will bring together people in the applied mathematics and chemistry communities that are working on these issues.
To register your interest in this event please email the Champs Project Manager for further information – champs-project@bristol.ac.uk
