Two PhD studentships in Computational Chemistry/Physics

Two PhD studentships are available to work under the supervision of Prof Jochen Blumberger at the Condensed Matter and Materials Physics Laboratory, University College London, UK. The first PhD project involves the development and application of first principles molecular dynamics simulation of electron transfer across solid/liquid interfaces. Such reactions are at the heart of pressing societal and environmental issues, e.g. artificial photosynthesis and solar fuel production. In the project we will adopt and further develop a dedicated density functional theory based method to compute the parameters governing the thermodynamics, kinetics and mechanism of interfacial redox processes underpinning the rational design of improved electrode materials for energy applications.


The second PhD project involves the development and application of a novel non-adiabatic molecular dynamics method for simulation of charge carrier transport in organic semiconducting materials and/or proteins. Charge transport (CT) is at the heart of many exciting and potentially revolutionising technologies ranging from organic photovoltaic cells to nanobioelectronic transistors, yet our fundamental understanding of CT in organic semiconductors/biomolecules is still very limited. Your work will contribute to a user-friendly open software tool and will yield important fundamental insight into the nature of CT in materials that have the potential to transform emerging technologies of the 21st century.


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.


Applicants interested in the first or second project should apply online at

Ref No 1626820. Online application involves upload of (i) Statement in support of your application (ii) CV including publications (if any) (iii) transcripts of undergraduate (Bachelor) and graduate (Master) studies as supporting documents and (iv) contact details of 2 referees. Please send these four application documents also as a single zip file to Jochen Blumberger, specifying in the subject line PhD application. The closing date for applications is 28. February 2017.


Interested candidates may want to take a look at recent group publications in the field, listed on the group website 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 Jochen Blumberger, If you have any administrative queries regarding the application process, please contact James Gane,



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