Research Assistant in Free Energy Prediction from Ensemble Based Calculations

£30,922 to £32,607 per annum
Dec 11, 2018
Jan 08, 2019
Contract Type
Full Time
Job Type
Duties and Responsibilities

Applications are invited for a Research Assistant to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active inter-disciplinary group in the Centre for Computational Science, and will work on providing guiding theoretical principles and computational methods for the design of novel materials based on their atomic composition and structure.

The postholder will develop and optimise verified and validated molecular dynamics simulation for drug discovery and personalised medicine using existing molecular dynamics codes including GROMACS and OpenMM. The approach will develop the theory of and make use of modern techniques for uncertainty quantification. The codes will be optimised for existing and future emerging architectures along the path to the exascale.

The post is funded by UCL and is available for a period of 36 months initially, and the appointment will start as soon as possible.

Key Requirements

The successful candidate will have a Masters degree in Chemistry or Mathematics, together with a significant knowledge of statistical mechanics, stochastic methods, dynamical systems and modelling and simulation along with proven programming expertise. They will also have extensive experience using the GROMACS molecular dynamics package and molecular modelling and simulation of proteins, involving large scale high performance computing on Tier 1 and Tier 0 facilities.

Further Details

A can be accessed at the bottom of this page.

To apply for the vacancy please click on the 'Apply Now' button below.

Informal enquiries should be addressed to Prof Peter Coveney ( ). Any queries on the application process can be directed to Judith James - .

UCL Taking Action for Equality

Closing Date

10 Jan 2019

Latest time for the submission of applications


Interview date


Our department holds an Athena SWAN Bronze award, in recognition of our commitment to advancing gender equality.

This appointment is subject to UCL Terms and Conditions of Service for Research and Support Staff.

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Job Description & Person Specification