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Science and Technology Facilities Council

Salary: Band D £31,931 - £34,709 to Band E £39,748 - £44,166 gross per annum dependent on experience*
Hours: Full-Time/Part-Time (Minimum 22 hours) (We understand the importance of work-life balance, and are happy to discuss the possibility of flexible working with applicants)
Contract Type: Fixed-Term (3 Years)
Location: Science and Technology Facilities Council, Daresbury Laboratory, Warrington

• This role is eligible for up to £2,000 Responsibility and Retention Allowance gross per annum

About the Hartree Centre
The Hartree Centre is within the Science and Technology Facilities Council (STFC), and part of UK Research and Innovation. We are funded by UK Government to support businesses and the public sector on their digital journey, so we can grow the economy, create skilled jobs and keep the UK at the forefront of digital innovation.

We help organisations with an appetite for change, who are ready to innovate and create useful solutions to explore and adopt advanced digital technologies, including high performance computing (HPC), data analytics and artificial intelligence (AI). We are home to some of the most advanced computing, data and AI technologies in the UK and form an important part of the UK's research and innovation ecosystem alongside our global network of academic research communities and technology partners.

With the help of our experts and technologies, UK organisations can enhance products and processes more quickly that using conventional R&D methods, adopt new digital technologies, upskill their staff and expand into new markets.

Reasons our staff enjoy working for us:

• We’re based at Sci-Tech Daresbury - a lively and dynamic campus bringing together SMEs and leading industry-academic collaborations located in a picturesque semi-rural location with easy access to canal-side and woodland walking.
• We are less than two miles from the M56 motorway with public transport links and access to Warrington and Runcorn national rail stations. Advice on all aspects of travel to site including car sharing is available at: https://www.sci-techdaresbury.com/the-campus/travel-hub/.
• 30 days annual leave plus 10.5 public and privilege days.
• Options for flexible or hybrid working patterns are available.
• Defined benefit pension scheme (employer contribution – currently up to 26%).
• There are different active sport and social groups across campus with access to an on-site gym for staff.
• Personal development is key. You will work with your line manager to develop your own Learning and Development plan each year.
• We value collaborative working across STFC and with our external collaborators such as IBM Research, The University of Liverpool’s Virtual Engineering Centre, Atos, NVIDIA, Unilever and many more.
• Diversity and inclusion are important to us. UKRI has a corporate policy on Equality and Diversity which is supported by a Diversity Forum and implementation group.
• For more information on the rest of our employee benefits, take a look at: http://www.stfccareers.co.uk/why-join/rewards-and-benefits/.

Together, our scientist, technologists, engineers and business support team explore the unknown and turn what they find into work that changes the world around us. Whether it’s sending probes into space or finding new ways to treat cancer, everyone here plays a vital role in making a positive difference to society.

Come and discover how much you can achieve when you’re surrounded by world-leading experts, encouraged to constantly learn and empowered to explore your curiosity.

We now have an opportunity for a Computational Chemist to join the Chemistry & Materials Team at the STFC Hartree Centre. The team works on a variety of research projects using quantum, atomistic and mesoscale simulation, and has pioneered the deployment of these methods in industrial product design and optimisation. We specialise in applying computational chemistry techniques to real industrial problems, working with a variety of leading companies with applications ranging from home and personal care, agrochemicals, ceramic alloys to lubricants.

The role will focus on industrially applicable research projects aligned with the Hartree Centre chemistry and materials programme where we are developing data analytics, modelling, and simulation capabilities to address a broad variety of chemical and materials problems at cutting-edge scale and accuracy. Working on high performance computing (HPC) architecture and using data intensive science and AI methods, the successful candidate will be expected to lead the development of our growing capabilities and to deliver against industry led projects.

Other duties include but are not limited to:

• Lead and identify contract R&D opportunities with a range of industry clients in the multiple fields of application [UKRI Band E].
• Attract new research opportunities and collaborations with external partners including academia and industry [UKRI Band E].
• Lead the development of simulation/modelling methods to extend the capabilities of the current team. This will include planning and guiding the tasks of the team related to this area [UKRI Band E].
• Actively contribute to the Hartree Centre’s wider programme of work in the area of chemistry and materials, algorithms and software, machine learning and data.
• Conducting high-quality, creative research aligned with the resolution of industry challenges.
• Co-ordination of resources to industry deadlines [UKRI Band E].
• Creating high-quality reports detailing the work carried out in projects for industry stakeholders.
• Increasing the team remit through developing new capabilities and areas of expertise applicable to industry challenges.

Successful candidates will be expected to communicate effectively with a range of STFC staff and various academic and industrial partners. There will also be the opportunity for occasional UK and overseas travel to attend meetings, conferences and to deliver presentations to industry partners.

Person Specification
Suitable candidates will hold a degree in a relevant STEM subject and will also have demonstrable experience in scientific programming such as Fortran, C++, or scripting such as Python, or MatLab (along, where possible, with a background working in a Unix/Linux type environment). You will have (or be about to achieve) a PhD in an appropriate field or have equivalent experience.

You will either have demonstrable experience in leading/conducting (UKRI Band E/D) research using particle-based simulation methods such as DPD, MD, CGMD and MC, or may demonstrate extensive knowledge and prior experience with the application of DFT or other QM based methods. Alternatively, you will show experience of using data intensive methods in the field of chemistry and materials. In addition, you will have worked with, and be familiar with the operation of HPC architectures. The ideal candidate will demonstrate an understanding of how these approaches can be applied to industry challenges.

We are seeking adaptable scientists who can, and are, interested in applying themselves to multiple areas including writing and running applications for different industrial sectors (e.g. formulation, polymers, composites etc.). You should have a broad interest in multidisciplinary applications. A very high level of drive, enthusiasm and focus on the achievement of goals is anticipated. A desire to work on high paced and highly varied projects is essential.

Excellent communication and interpersonal skills are required to collaborate effectively with people from diverse scientific backgrounds, along with effective presentational skills to deliver to technical and non-technical audiences.

What you will need for the role:
(Please note the below criteria will be assessed at Shortlisting (S) or Interview (I) stage as indicated)

• Postgraduate degree (MSc, PhD etc) in a physical science, engineering science, computer science or mathematics OR equivalent experience relevant to the field of computational chemistry or materials.
• Demonstrable scientific programming (e.g., Fortran, C, C++) or scripting (e.g, Python, MatLab) experience (S&I)
• Familiarity working in a Unix/Linux type environment (S&I)
• Experience of collaborating with industry (S&I)
• Excellent communication skills, both written and oral (S&I)
• Good presentational skills and ability to communicate with technical and non-technical audiences (I)
• Flexible and independent working; ability to organise and prioritise work based on identified priorities (I)
• Advanced problem-solving ability (I)
• Flexibility to travel to partner sites (in UK) and present at meetings and workshops (day and occasionally extended trips)

Additional criteria for the Band E role are:

• Demonstrable leadership in the application of particle-based simulation methods (e.g., dissipative particle dynamics, molecular dynamics, Monte Carlo), quantum methods such as DFT, OR data intensive methods applied to the chemistry and materials field (S&I)
• A clear vision of the challenges and opportunities associated with modelling and simulation (or data intensive methods) as applied to industry (I)
• Ability to lead and drive industry engagement (I)
• Project management experience or understanding with knowledge of challenges encountered when working on time limited projects (S&I)

We ask some of the biggest questions in the universe, to answer some of the biggest challenges in the world. Whatever our role, we have the freedom to explore, learn and connect, as part of a community that loves to share knowledge and support one another.

As one of Europe’s largest research organisations, this is a place where there’s always something new to learn – about the world around us, about your career, but most of all, about yourself. Join us and discover what’s possible