PhD in First principles molecular dynamics simulation of electron transfer across solid/liquid interfaces

A 3.5 year PhD studentship is available to work under the supervision of Prof Jochen Blumberger at the Condensed Matter and Materials Physics Laboratory, University College London, UK. The project involves the development and application of first principles molecular dynamics methods for the simulation of electron transfer across solid/liquid interfaces. Such reactions are at the heart of pressing societal and environmental issues such as artificial photosynthesis and solar fuel production, decontamination of soil and geochemical transformations. In the project we will adopt and further develop a dedicated density functional theory based method to compute the parameters governing electron transfer between redox active solvated species and semiconducting minerals/electrode materials. This will give us access to a detailed atomistic understanding of the thermodynamics, kinetics and mechanism of interfacial redox processes relevant to geochemical metal cycling and underpinning the rational design of improved electrode materials for energy applications. Access to high performance computing facilities will be provided. Interested candidates may want to take a look at recent group publications in the field, listed on the group website

Highly motivated students from Physics, Chemistry or Materials Science Departments are strongly encouraged to apply for this post. Due to funding restrictions only UK or EU citizen are eligible to apply. The candidate should have, or be about to receive, an honours degree (at least II.1 or equivalent) in Physics, Chemistry or a related subject. Good knowledge in quantum mechanics and statistical mechanics is expected and interest in writing computer code and shell scripts is an advantage. Some experience with molecular simulation is desirable, but not essential. The studentship will cover all university fees and includes funds for maintenance at the standard EPSRC rate. The studentship will start 1. October 2017. A later start date is possible.

Your application should include (i) a motivation statement (250 words max) briefly describing your research interests and why you would like to apply for this post (ii) a CV including details on publications, prizes, scholarships if any (2 pages max) (iii) transcripts of undergraduate (Bachelor) and graduate (Master) studies, and (iv) the names, contact details and email addresses of two referees. Please send these documents as a single zip file to Prof Jochen Blumberger,, specifying “PhD application” in the subject line and apply online via the UCL jobs website at 

Ref No: 1626820. 

The closing date for applications is 28th February 2017. Candidates are advised to apply as early as possible as the selection and interview process will commence immediately and continue until a suitable applicant is found. Informal enquiries regarding the vacancy can be made to Prof Blumberger by email. 



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