PhD Project: Quantum simulation of Light-induced Chemistry and Electronic Friction Effects at Metal Surfaces

University of Warwick

Supervisor:  Dr. Reinhard J. Maurer         

Funding availability: EU/UK (funded)

Project description: 
A Ph.D studentship is available with the earliest possible start date in November 2017.

The project will involve the quantum theoretical study of light-induced chemical reactions in industrially-relevant heterogeneous catalysis and gas-surface dynamics. Newly developed efficient quantum dynamics simulation methods and high-performance supercomputing infrastructure will be used to study the role of light-matter interaction and molecule-surface energy transport in controlling chemical reactions at metal surfaces. The thereby gained understanding will guide the development of efficient light-assisted alternatives to industrial processes ranging from CO2 capture to Carbon-Carbon coupling reactions. Depending on the student’s interests, fundamental computational method development work can be a large part of this project.

This studentship is open to UK or EU Nationals (fees paid, plus tax-free stipend - currently £ 14,553 per annum). Applicants should have an honours/Masters in chemistry. Prior experience in quantum chemistry and software development (e.g. Python) is desirable, but not essential. The successful candidate will be extensively trained in highly career-relevant molecular modelling and data analytics methods.

How to apply:
Please direct informal enquiries and requests for further information to Dr. Reinhard Maurer ( Please include your CV and a brief explanation of your interests in the research area of the studentship. Research group information is available at

Details on the formal application procedure can be found at

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Midlands of England