An exciting position is available from July 1st 2022 (or as soon as possible
 thereafter) for a research software engineer for 36 months. The RSE will 
be supervised by Dr. Julien Michel (JM) and based in the School of 
Chemistry at the University of Edinburgh. The RSE will play a leading 
role in the delivery of the EPSRC-funded Software for Research Communities
 project: Supporting the OpenMM Community-led Development of 
Next-Generation Condensed Matter Modelling Software. The RSE will be
co-supervised by Dr Daniel Cole (Newcastle University), Prof Fernanda 
Duarte (University of Oxford), Dr Tobias Grosser (Edinburgh University). 

The RSE will work primarily on the implementation of state-of-the-art 
machine learning-based  (ML) potentials in the OpenMM atomistic software 
library. The work will be carried out in close collaboration with an 
international consortium of OpenMM developers in the US and the EU to 
deliver to the community a library of extensible Machine Learning (ML)
 potentials that can be efficiently deployed on current GPUs and emerging 
AI-hardware accelerators. The RSE will develop standardised interfaces to 
integrate OpenMM software with other popular software used by the 
biomolecular simulation community. The RSE will coordinate with domain
 experts in molecular simulations to assemble production hybrid MD/ML 
pipelines for scientific use cases. A significant focus of the RSE will 
be provision and delivery of training support to the growing community of 
users of OpenMM in the UK and beyond.

Informal enquiries can be directed to julien.michel|a|ed.ac.uk 

Formal applications should be submitted to (job id 4367):

https://elxw.fa.em3.oraclecloud.com/hcmUI/CandidateExperience/en/sites/CX_1001/job/4367/?utm_medium=jobshare