Habershon Group
Research in the Habershon Group
We are a computational chemistry research group in the Department of ChemistryLink opens in a new window at the University of WarwickLink opens in a new window
Our interest lies at the intersection of chemistry, physics and computer science; we're developing new simulation tools which can help us to accurately model chemical dynamics in complex systems containing many-atoms. These simulation approaches are being used to understand chemical reaction dynamics in a wide-range of systems, from hydrogen-bond dynamics in simple anion solvation shells, to reactions taking place on water clusters, to catalytic reactions taking place on surfaces.
News
- We are currently seeking a PhD student to work as part of the EPSRC-funded COSMOS programme grantLink opens in a new window - details of the PhD position can be found hereLink opens in a new window. The PhD studentship will focus on developing new trajectory-based simulation methods for modelling the chemistry and photochemistry of molecular systems - seeking to push beyond the currently-accessible system-size and time-scale limits.
- In addition, we are also recruiting to two PhD studentships through Warwick's HetSys CDTLink opens in a new window:
- Project 1: From here to where? Mapping out crystal polymorph formation mechanisms using directed walksLink opens in a new window - co-supervised by Prof. David Quigley (Warwick Physics)
- Project 2: Machine learning of energy barriers for reaction network discovery of drug-like molecules - co-supervised by Prof. Reinhard Maurer (Warwick physics/chemistry). Note that this project is in close collaboration with a leading pharmaceutical company and will involve an additional six-month industrial placement of the PhD student extending the overall project to 4.5 years.
If you're interested in applying for any of these posts - please follow the links above for further details. Informal enquiries about these projects can be sent to