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Date: Fri Feb 3 05:24:11 2017
Subject: 17.02.03 Two PhD studentships in Computational Chemistry/Physics, University College London, UK
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 
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, j.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 Prof Jochen Blumberger, j.blumberger^^^ If you have any 
administrative queries regarding the application process, please contact 
James Gane, james.gane^^^

All @ signs were changed to ^^^ to fight spam. Before you send e-mail, you need to change ^^^ to @
For example: change joe^^^ to
Please let your prospective employer know that you learned about the job from the Computational Chemistry List Job Listing at If you are not interested in this particular position yourself, pass it to someone who might be -- some day they may return the favor.
Modified: Fri Feb 3 10:24:11 2017 GMT
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