Computational Chemist – Coarse Grained MD

Published on February 6, 2012 by   ·   No Comments
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The Science and Technology Facilities Council (STFC) is the UK's provider of large scale interdisciplinary research infrastructures and supporting technologies, which enable UK researchers to investigate the world we live in and understand the building blocks of the universe.  Our Daresbury Science & Innovation Campus in Cheshire is home to world-leading science including nuclear physics, accelerator research, high performance computing and technology.

IRC41824
Up to £26,609 - £29,566 - dependant on skill set
Cheshire

A vacancy exists for a three year fixed term Computational Scientist in the Computational Science & Engineering Department (CSED) at Daresbury Laboratory, funded by the EPSRC to research and develop techniques for coarse grained molecular dynamic simulation.  The project is in collaboration with Manchester, Durham, and Bath Universities.

The post holder will work closely with scientists at Daresbury Laboratory on the implementation new multiscale computer simulation tools for materials chemistry simulations on massively parallel computer systems.

There are two objectives for this project

  • To research and develop techniques to derive interaction potentials for coarse grained molecular dynamic simulations from atomistic data.
  • To create/adapt a software package to allow for adaptive resolution molecular dynamics.

The project will also require testing on a range of high end computational facilities and the scientist to undertake high impact research projects with partner universities. There is a requirement to demonstrate the software to external universities and this will be achieved through publication, conference presentations, scientific collaboration and hands-on training.

The post will involve extensive team-working with researchers at the partner institutions, both for software development and to demonstrate the value of the software on a number of model problems in chemistry (with partner institutions).

The successful candidate will hold a PhD in a relevant physical science or high performance computing discipline, will have experience of scientific software development (including Fortran 90 or 95) and experience with parallel computing and will have a track record of research illustrated through peer-reviewed publications. Experience of development within a classical molecular dynamics (or similar) software package is highly desirable, and experience with development of the DL_POLY software package is desirable. Knowledge of C, C++, Python, and working in Unix/Linux environments is desirable. The candidate should be able to work independently and as part of a team and should have good verbal and written communication skills.

Salary on appointment is awarded according to relevant experience.  An index-linked pension scheme, flexible working hours and a generous leave allowance are also offered.  All posts are subject to pre-employment screening.

The position is fixed term for three years. The position is available from the 1st April.  For further information please contact Dr John Purton (Tel: 01925 603785, Email: john.purton@stfc.ac.uk) or Dr Ilian Todorov (Tel: 01925 603849, Email: ilian.todorov@stfc.ac.uk).

Applications are handled by the RCUK Shared Services Centre; to apply please visit our job board at https://ext.ssc.rcuk.ac.uk and complete an online application form. If you are unable to apply online please contact us on 01793 867003 quoting reference IRC41824.

Closing date for applications: 26th February 2011

NO AGENCIES

STFC is an equal opportunity employer and promotes diversity in its workforce. We are particularly keen to consider applications from groups currently underrepresented in the workforce and we are positive about disability.

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