PhD Position in Computational Physics/Chemistry at University College London, UK

A 4-year fully funded PhD position is available from 1. October 2016
to work under the supervision of Professor Jochen Blumberger at the
Condensed Matter and Materials Physics Laboratory, University College
London. The project, involves the development and application
of atom-scale computational methods for the simulation of electron
transfer between (bio-)molecules and electrode materials. Depending
on the interests of the successful candidate, applications will focus
on one of the following systems (i) multi-heme proteins (also termed
bacterial nanowires) adsorbed on gold, relevant for potentially
revolutionising bionanotechnological applications such as electronic
communication, signalling and sensing with bacterial cells, non-toxic
implantable bioelectronics devices or even artificial skin. (ii)
molecular catalysts adsorbed on metal oxide photoelectrodes for carbon
neutral, solar fuel generation. In the project we will adopt and
further develop dedicated density functional theory based and classical
molecular dynamics method to compute the parameters governing electron
transfer between the adsorbed (bio-)molecule and the metal substrate.
This will give us access to a detailed atomistic understanding of the
thermodynamics, kinetics, current-voltage characteristic as well as
mechanism of interfacial redox processes. Access to high performance
computing facilities will be provided.

Highly motivated students from Physics, Chemistry or Materials Science
Departments are strongly encouraged to apply for this post. The candidate
should have, or be about to receive, a Masters degree (at least II.1 or
equivalent) in Physics, Chemistry or a related subject. Excellent
knowledge in molecular quantum mechanics and statistical mechanics
is expected and basic programming and scripting skills are desirable.
Some experience with molecular simulation is an advantage,
but not essential.

The studentship will cover all university fees, includes funds for
maintenance at the standard UK rate and a generous budget for
participation in international conferences and workshops. Due to
funding restrictions only UK or EU citizen are eligible to apply.
Applications should include (i) a motivation statement (250 words max)
briefly describing why you would like to apply for this post,
(ii) a full CV including any publications (2 pages max), (iii) a
transcript of undergraduate (Bachelor) and graduate (Master) studies,
and (iv) the names, contact details and email addresses of two
referees. These 4 documents should be sent by email as a single zip
file to Jochen Blumberger, email address: j.blumberger@ucl.ac.uk
Informal enquiries regarding the vacancy can be made to
Jochen Blumberger, preferably by email.

Interested candidates may want to take a look at recent group
publications in the field, listed on the group website
http://www.blumberger.net. 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. The preferable start date is 1. October 2016, though a
later start date is also possible.

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