Applications are invited for a Research Fellow/Software Engineer to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active cross-disciplinary group in the Centre for Computational Science. A PhD degree in bio-molecular dynamics modelling for protein-ligand alchemical binding free energy determination is a minimal requirement together with demonstrable ability to programme in more than one high-level language.
We are looking for a research software engineer to support our work in computer-based drug discovery and personalised medicine. Our main focus is employing molecular dynamics simulations to investigate origins of drug resistance in pathologies such as HIV, cancer, and antimicrobial resistance. A major focus of this position will be developing automated workflows using the NAMD and OpenMM packages to perform binding free energy calculations. The postholder will be responsible for supporting large simulation campaigns on ultra-high-end supercomputers, including Summit, the number one in the Top 500 list of supercomputers worldwide.
The successful candidate must have a PhD (or near to being awarded a PhD) in bio-molecular dynamics modelling for protein-ligand alchemical binding free energy determination, with proven extensive parallel programming expertise in at least two languages (e.g. C++ and Python). They must have experience using common molecular dynamics packages including at least one of NAMD, AMBER, GROMACS and OpenMM.
The post is funded by the European Commission and is available from 1 September 2019 or soon thereafter, for a period of 24 months initially. For more details and to apply, click here.