Research Scientist - Computational Chemist (Molecular Mechanics)

at  Defence Science and Technology Laboratory

JOB SUMMARY

Within the Chemical, Biological and Radiological (CBR) Division our mission is to support the Ministry of Defence (MOD) and other Government Departments to ensure intelligent decision-making is at the heart of the UK government. Dstl utilises computational chemistry to answer critical research questions for UK Defence and Security.
We are looking for a Research Scientist who has a strong understanding of computational chemistry, in particular molecular mechanics techniques and their application to biological systems or components (e.g. lipids, proteins). As a Research Scientist you will support and develop research projects across Dstl focusing on computational chemistry. This will cover a variety of research fields to support areas such as predicting toxicology or assessing hazardous materials, amongst others. Your role will include working alongside experienced computational biochemists to assist protein design research where you will use molecular mechanics to characterise proteins. You will also have the option to establish and lead your research area and help shape computational chemistry research at Dstl. There will also be opportunities to attend scientific conferences and meetings (UK and overseas) to share research and form new collaborations.
The research outcomes and advice that you deliver will provide underpinning R&D as well as helping to inform a range of strategic and policy decisions across the Ministry of Defence (MOD) and wider government. You will have the opportunity to work in an exciting research area, utilising novel, cutting-edge technologies to support a diverse portfolio of scientific hypotheses. You will work on a variety of interesting and challenging problems that owing to their sensitivity cannot be done elsewhere - we offer scientific work like no other!
Dstl recognises the importance of diversity and inclusion as people from diverse backgrounds bring fresh ideas. We are committed to building an inclusive working environment in which each employee fulfils their potential and maximises their contribution.
We particularly welcome female, ethnic minority and those from the LGBTQI community, as they are under-represented within Dstl at these levels.

QUALIFICATIONS, SKILLS AND EXPERIENCE

Essential

• A relevant post-graduate qualification (PhD) or equivalent scientific experience.
• Graduate degree in a relevant subject area (e.g., chemistry, life sciences, physics).
• A high level of computer literacy including demonstrable use or knowledge of computational chemistry tools.
• Proficiency in molecular dynamics software (e.g. GROMACS, NAMD, AMBER).
• Proficiency in the use of Linux operating systems.
• Skilled in a programming language (e.g. Python, R, Shell scripting).
• Proven use of computational chemistry to answer research questions.
• Good communication, presentation and report writing skills.
• Experience of working as part of multidisciplinary teams.

Desirable

• Experience in any of the following: enhanced sampling techniques, free energy methods, protein design, deep learning methods, molecular docking, computational drug design.
• Experience in the generation of topology parameters for non-conventional ligands.
• Experience in using high performance computers and cloud computing.
• A relevant peer-reviewed publication record.
• Skilled in mentoring less experienced colleagues.

NATIONALITY REQUIREMENTS

Open to UK nationals only.
This job is not open to candidates who hold a dual nationality.

IN THIS ROLE YOU WILL:

• Work on interesting and challenging research questions using your expertise in computational chemistry.
• Have the opportunity to develop and lead computational chemistry research.
• Support research in protein design using physics-based and deep learning methods (e.g. AlphaFold).
• Work with multidisciplinary teams to design experiments and test computational hypotheses.
• Mentor and train less experienced colleagues.