Research Fellow, Computational Systems Chemistry
Computational Systems Chemistry
Location: Highfield Campus
Salary: £30,942 to £34,804 per annum
Full Time Fixed Term (18 months)
Closing Date: Wednesday 21 April 2021
Interview Date: Wednesday 28 April 2021
You will join our newly funded EPSRC New Horizons grant – “Solving the sampling problem in molecular simulations by Sequential Monte Carlo”. The aim of this project is to develop and apply the Sequential Monte Carlo (SMC) method in the context of biomolecular simulations. There is a long-standing interest in molecular simulation to develop enhanced sampling algorithms to address the known limitations of conventional molecular dynamics. Current approaches, including replica exchange and metadynamics methods, are not without problems – either an appropriate collective variable needs to be identified, or the methods are computationally demanding. SMC has been used in a number of fields, but has received little attention in biomolecular simulation. In this project, you will develop and apply the molecular-SMC approach to two main classes of problem in biomolecular modelling – to protein-ligand docking, and to binding free energy calculations. You will work within the OpenMM software environment to explore how well molecular-SMC is able to enhance sampling, and to develop and optimise the algorithm accordingly.
You will have a PhD* or equivalent professional qualification in Chemistry, Biochemistry, Physics or Statistics. You will have a detailed understanding and knowledge of computational modelling or statistics, and a track record of of writing research papers independently, presenting work at international conferences, and be able to work successfully within a team. You will join a well-established research group in the area of computational chemistry with a keen focus on the development of methods for classical computer simulations and their application to biomolecular problems, with a particular emphasis on pharmaceutically relevant problems. You will also be a member of the Computational Systems Chemistry section.
This position is fully funded through the Engineering and Physical Sciences Research Council (EPSRC) for a full time, fixed term position for 18 months. For additional information, please contact Prof Jonathan Essex (email@example.com). http://www.essexgroup.soton.ac.uk/.. Interviews will be held on 28th and 29th April 2021.
Equality, diversity and Inclusion is central to the ethos in Chemistry. We particularly encourage women, Black, Asian and minority ethnic (BAME), LGBT and disabled applicants to apply for this position. In recognition of our continued commitment to improving equality for women in science we were awarded an Athena SWAN Silver award in 2014 a and a second Silver award in 2017. Chemistry gives full consideration to applicants that wish to work flexibly including part-time and due consideration will be given to applicants who have taken a career break. The University has a generous maternity policy* and onsite childcare facilities. For further information please visit https://www.southampton.ac.uk/chemistry/about/Equality/index.page
The University of Southampton is in the top 1% of world universities and in the top 10 of the UK’s research-intensive universities. Chemistry at Southampton was ranked 6th in the UK for research intensity in REF2014. The University of Southampton is a world-leading environment to perform computational modelling research, with a long track record in investment in High Performance Computing. Its current HPC resource, iridisV, is one of the largest university-owned computers in the UK.
The University of Southampton is committed to sustainability and being a globally responsible university and has recently been awarded the Platinum EcoAward. Our vision is to embed the principles of sustainability into all aspects of our individual and collective work, integrating sustainable development into our business planning, policy-making, and professional activities. This commits all of our staff and students to take responsibility for managing their activities to minimise harm to the environment, whether this through switching off non-essential electrical equipment or using the recycling facilities.
*Applications for Research Fellow positions will be considered from candidates who are working towards or nearing completion of a relevant PhD qualification. The title of Research Fellow will be applied upon successful completion of the PhD. Prior to the qualification being awarded the title of Senior Research Assistant will be given.
*subject to qualifying criteria
You should submit your completed online application form at https://jobs.soton.ac.uk. The application deadline will be midnight on the closing date stated above. If you need any assistance, please call Kate Pounds (Recruitment Team) on +44 (0) 23 8059 5456 or email firstname.lastname@example.org Please quote reference 1354921EB on all correspondence.