Events

CHAMPS – Workshop on Exact Factorization and Bohmian Mechanics

Engineers House The Promenade Clifton Down, Bristol BS8 3NB

Monday 22nd April 2019

Methodologies for separating nuclear and electronic motions are fundamental to chemistry.

In recent years the notion of “Exact Factorization” has emerged as a compelling approach for analysing and interpreting the complete wave function for a system of nuclei and electrons evolving in a time-dependent external potential.

Another related approach is Bohmian mechanics, which is known for many years but recently has received much of attention.

The purpose of this workshop is to bring together experts in this area to discuss the current “state-of-the-art” and the prospects for future development.

To register your interest in this event please email the Champs Project Manager for further information – champs-project@bristol.ac.uk

Schedule of talks coming soon…

 

 

CHAMPS – Workshop on “Discovering Phase Space Structure and Reaction Mechanisms from Trajectory Data Sets” 

Engineers House The Promenade Clifton Down, Bristol BS8 3NB

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

19.03.19 Workshop Schedule of Talks

 

 

CHAMPS – Kick Off Meeting

Watershed, 1 Canon’s Road, Harbourside Bristol BS1 5TX

15th & 16th January 2018.

The Champs Kick off Meeting will be held in Bristol at the Watershed over two days. We have a number of distinguished speakers, both Mathematicians and Chemists, intended to be accessible to a mixed audience. Places are strictly limited and will be on a first come, first served basis.

To register your interest for this event please complete this registration form

 

 

 

CHAMPS Tutorial Series: Applying Machine Learning in Chemistry and Dynamics.

University of Bristol. School of Mathematics.

Held Friday 22nd September 2017

Applications of machine learning are exploding in many fields. This was a two-part tutorial, introducing some of the basic tools and techniques and then showing how they can be applied with a series of applications

Machine Learning workshop Poster- drg