PhD Studentship: Modelling Ultrafast Chemistry with Trajectory-based Quantum Simulations

Supervisor: Professor Scott Habershon

Funding availability: 4 years funding (UK fees only?)

Project description: This is an exciting opportunity to join a team of researchers that are part of an EPSRC programme grant with six partner universities in the UK (UCL, Oxford, Leeds, Newcastle, Bristol and Warwick). The COSMOS project (see: https://gow.epsrc.ukri.org/NGBOViewGrant.aspx?GrantRef=EP/X026973/1) aims to develop new trajectory-based simulation methods – and associated code – that will help build predictive and interpretative capabilities to understand next-generation spectroscopic experiments. The COSMOS project (started in 2023 and running until 2029) will also build interactions across a wide range of experts from around the globe – including both computational chemists and experimental spectroscopists.

In this fully-funded 4-year PhD project, you will develop and apply new trajectory-based quantum dynamics simulation methods for molecular systems that seek to push the limits of what can currently be modelled in terms of system-size and time-scales. Building on the Habershon team’s research on machine-learning-accelerated quantum simulations, as well as exploring new algorithms and ideas for wavefunction and density-matrix propagation, this project offers an opportunity to drive forward the challenging yet important field of quantum dynamics simulations. 

Further information on the Habershon group is available at: https://go.warwick.ac.uk/habershongroup 

The studentship will begin in September 2025 (an earlier start is negotiable) and, for UK students, will provide funding for tuition fees and a maintenance grant at the standard UKRI rate. 

Requirements:

Applicants should have a Masters level degree (at least II.1 or equivalent) in chemistry, physics, or other relevant discipline, and should be a UK citizen or have been a resident in the UK for three or more years. 

How to apply:

Please direct informal enquiries and requests for further information to Prof. Scott Habershon (S.Habershon@warwick.ac.uk).

Details on the formal application procedure can be found at http://www.go.warwick.ac.uk/pgapply

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