You will be responsible for investigating the existing workflows and refactoring them with a view to integrating the core processes within the Dissolve software (https://www.projectdissolve.com). The ultimate goal is to allow for the calculation of structure factors from the simulated deposited ice and provide the first critical steps in constructing a full workflow for the data-driven analysis of these porous ices.
About Summer Placements at STFC
STFC's incredibly diverse range of placements allows you to work alongside world-leading engineers, scientists, and technicians in highly collaborative environments. Whichever you choose, you will become a critical member of the team in which you will be exposed to exciting projects and challenges from the start. You will also be supported every step of the way by our dedicated Early Careers Development Team. STFC offers a benefits package crafted to provide an excellent work/life balance including flexible working hours, health promotion programmes, and subsidised restaurant and coffee outlets. For more information on our full list of benefits, please visit here.
Summary of Key Duties & Responsibilities:
* Understand the key steps performed by the existing scripted workflows, and update/redesign as necessary.
* Fully automate the new process to improve user experience and allow full integration with the Dissolve software.
* Test method by running simulations to create various types of ice.
* Benchmark against available neutron scattering data/general structural data.
Minimum Requirements:
* You are in full-time education at university and will be returning to university/your studies once the summer placement has concluded.
* You have the right to live and work in the UK for the duration of the placement.
* Studying for a science-related degree such as Chemistry, Physics, Biology, Materials Science, Computer Science or a closely-related field.
* An understanding of basic molecular structure.
* An interest in understanding how structure at the atomic scale governs macroscopic properties.
Desirable:
* Any experience of atomistic simulation (e.g. Monte Carlo, molecular mechanics, molecular dynamics, ab initio calculations etc.).
* Familiarity with command-line scripting (e.g. Bash, Python) or any conventional computer programming language.
As one of Europe's largest research organisations, we ask the biggest questions in the universe to find answers that change the world around us. We seek understanding. We're proud of the impact we make. And we're committed to helping build a globally competitive, knowledge-based UK economy. Being part of all this means contributing to work that pushes boundaries and creates possibilities.
Choosing to come to work at UKRI means that you will have access to a whole host of benefits from a defined benefit pension scheme, excellent holiday entitlement, access to employee shopping/travel discounts, and salary sacrifice cycle to work scheme. The role holder will be required to have the appropriate level of security screening/vetting required for the role. UKRI reserves the right to run or re-run security clearance as required during the course of employment.
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