Computational Scientist
Science and Technology Facilities Council Rutherford Appleton Laboratory, Didcot
36,033-38,426
Fixed Term (2 Yrs initially with possibility of renewal depending
on performance and funding available)
Ref: IRC200856

About Us
The Science and Technology Facilities Council is a world-leading multi-disciplinary science organisation, and our goal is to deliver economic, societal, scientific and international benefits to the UK and its people and more broadly to the world.

About The Role
The Theoretical and Computational Physics (TCP) group at STFC Rutherford-Appleton Laboratory is seeking to recruit a physicist, chemist or materials scientist with interest and expertise in electronic structure theory and classical and/or ab initio molecular dynamics. The role involves the development and application of theoretical and computational methods to aid and support experimental work carried out at the ISIS Neutron and Muon Source and at the STFC Central Laser Facility. The focus of the work is the theoretical modelling of spectroscopic measurements (neutron and optical spectroscopies) using electronic structure calculations and the development of techniques and tools to aid the interpretation of experimental data. You will make use of state of the art electronic structure software to study the atomic dynamics of complex molecules in solution. You will work under the supervision of Dr Leonardo Bernasconi as a member of the TCP group, and in close collaboration with the groups of Dr Daniel Bowron at ISIS and Prof Tony Parker at the STFC Central Laser Facility (CLF).

Your tasks will involve
Setting up atomistic models of solution samples studied at ISIS and CLF;
Carrying out classical molecular dynamics and quantum mechanical simulations using existing software running on local and national supercomputers;
Collecting and analyse the results of the simulations;
Developing physical models of the structure, dynamics and electronic properties of the sample, based on the simulation results and the available experimental data;
Presenting the results of this work in publications and at national and international conferences.

About You
To be appointed as Computational Scientist, you should have

PhD in Chemistry, Physics or a related discipline
You will have expertise in electronic structure methods (especially density-functional theory) and molecular dynamics. Previous experience with modelling complex systems like solvated molecules, periodic or disordered materials and biological systems using electronic structure and molecular dynamics software will be a strong plus
Interest and experience with large-scale parallel computing will be an important asset.
Excellent communication skills and the ability to work effectively in a fast paced and multidisciplinary environment will be essential.

Benefits
We give you the flexibility, the freedom and the world-class facilities to focus on what you do best, and play your part in breakthroughs and achievements that will give you lifelong pride.

An excellent index linked pension scheme, 30 days leave allowance and flexi-time are offered.

Full details of offered benefits can be found on STFCs careers pages http://www.stfc.ac.uk/about-us/work-with-us/staff-benefits/
Applicants are required to include a cover letter outlining their suitability for this role.
Please also state where you saw this role advertised.

The closing date for applications is Monday 21st September 2015.

Applications are handled by UK SBS; to apply please visit our job board at /www.topcareer.jobs/Vacancy/irc200856_5640.aspx

Applicants who are unable to apply online should contact us by telephone on 01793 867000.