UK: Postdoctoral Research Fellow Development and Application of Advanced Polarisable Force Fields in MM and QM/MM at University of Southampton

Font size: Decrease font Enlarge font

Description: Applications are invited for a Postdoctoral Research Fellow to work with Dr Chris-Kriton Skylaris on a joint UK/US EPSRC/NSF-funded project aimed at the development and deployment of software for advanced potential energy surfaces for simulations of biomolecular and other systems. The project involves the development and implementation of the AMOEBA polarisable force field, and associated sophisticated sampling methodologies, into a range of advanced simulation codes, and their testing in the context of grand-challenge chemical problems.

The position is for 2 years and will involve the development of theory and code for hybrid large-scale quantum mechanical – molecular mechanical methods with polarisable force fields based on the AMOEBA force field. The developments will be made via APIs to ensure transferability between different packages and the ONETEP and Q-Chem quantum chemistry packages will be used to test and initially demonstrate the methods, in collaboration with the group of Processor Martin Head-Gordon (Berkeley). The appointee will also participate in the carrying out of exemplar applications prototyping grand challenge problems on biomolecular and condensed phase systems using the developed approaches. Experience in the use and development of electronic structure theory codes and modern software engineering techniques is essential.

These projects are part of a consortium between UK and US researchers and will involve close interactions with other researchers based in the partner research groups of Teresa Head-Gordon (Berkeley), Lorna Smith (Edinburgh), David Case (Rutgers), Martin Head-Gordon (Berkeley), Paul Neremberg (Claremont), Jay Ponder (St Louis), Ilian Todorov (Daresbury), and Mark Tuckerman (New York).

The successful candidate will also become a member of the Computational Systems Chemistry section and the Computational Modelling Group (High Performance Computing) of the University of Southampton. Candidates will have experience in computational chemistry software development, a familiarity with molecular simulation techniques and applications involving such techniques, and excellent team-working and communication skills. Experience in biomolecular simulation techniques is desirable. Candidates should have a PhD in the field of computational chemistry or condensed matter theory, and have published work in the development and/or application of such methods.

Informal enquiries: for additional information should be made in the first instance to Dr Chris-Kriton Skylaris (c.skylaris@soton.ac.uk) School of Chemistry, University of Southampton.

Duration: The post is available from 1 October 2013 but a later start date can be considered without reduction in the term of tenure. Applications should include a cover letter explaining interest in and suitability for the position with a curriculum vitae.

Deadline: The closing date for applications is 2 September 2013.

To Apply: We use an online recruitment system. If this is not possible please telephone +44 (0) 23 8059 3649 for an application form. Please quote reference number 277213EB in all correspondence.

The candidates should also provide names of at least two referees who can be contacted before interview.The candidates should also arrange for two letters of recommendation to be sent directly by their referees to either Dr Skylaris or Professor Essex by email or by post to:  School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom

Be Sociable, Share!

No Comments

Post your comment comment

You must be logged in to post a comment.