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Date: Tue Aug 8 06:12:37 2017
Subject: 17.08.08 Computational Scientist in Atomistic Modelling
Computational Scientist in Atomistic Modelling
STFC Daresbury Laboratory, Daresbury, Cheshire
Salary 30,056 - 36,000 (dependent upon qualifications and experience and
    including 1,500 Recruitment and Retention Allowance)
Full Time (Job share will be considered)
Fixed Term - 3 years

About Us
The Science and Technology Facilities Council (STFC) is one of Europes
largest research organisations. Were trusted to support, enable and
undertake pioneering projects in an amazing diversity of fields. Through
world-class facilities and people, were driving ground-breaking advances in
science and technology.

The Computational Chemistry Group at STFC develops and applies theories and
software that enables us and others to use atomistic modelling in order to
understand materials science, biology, chemistry and particle physics. Our
software packages run on powerful computers researching many of todays
societal challenges such as the production of nuclear and solar energy,
exploring materials for hydrogen powered cars and the materials used in the
next generation of computers.

About The Role
We are now offering an exciting research position into dye sensitised solar
cell materials, which is a collaborative project involving STFC, Swansea,
Glasgow and Cardiff Universities. Extended cross site visits, sharing and
presenting of results and ideas are an integral part of the job role. 

The main objective of this project is to use computational chemistry
techniques such as quantum mechanical and force field methods to explore
dye sensitised solar cell materials at the electronic and molecular level.
The details of the constituents of the materials will be provided by our
experimental partners and together we are trying to combine the
understanding gained from atomistic modelling and experiments in order to
accelerate the development of more efficient dye sensitised solar cell

Your primary role will be to carry out computational calculations on our
High Performance Computing facilities, including the following:
- setting up realistic representations of experimental systems (different
  surfaces, dye molecules, solvents etc.) 

- analysing the above generated data and converting them into a working
  hypothesis about the cause and reason for the experimentally observed

- analysis of large data sets by methods such as machine learning, and
  integration of data analytics and simulations results to produce new

About You
It is essential that you have a BSc or equivalent degree in a relevant
subject (Physics, Chemistry, Material Science, Life Sciences), also a PhD
or equivalent in a relevant branch of Physical Sciences (computational
physics, chemistry, materials science or life sciences), on a topic
relevant to atomistic quantum-mechanical and/or classical modelling of
condensed matter.

You must be able to demonstrate experience of scientific computing skills
and ensure you have experience of using atomistic quantum mechanical and/or
classical modelling codes. Excellent knowledge of the science of condensed
matter is also required for this role. 

You will have advanced problem solving abilities and a conscientious and
diligent approach to work.

An exceptional index linked pension scheme, 30 days leave allowance and
flexible working are offered.

Full details of offered benefits can be found on STFCs careers pages (

To Apply
Applicants are required to include a cover letter outlining their suitability for this role. 

Applications are handled by UK SBS; to apply please visit our job board at .
Applicants who are unable to apply online should contact us by telephone on
+44 (0)1793 867000.

The closing date for applications is 10th September.

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Modified: Tue Aug 8 16:20:20 2017 GMT
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