Information on this PhD research area can be found further down this page under the details about the Widening Participation Scholarship given immediately below.
Applications for this PhD research are welcomed from anyone worldwide but there is an opportunity for UK candidates (or eligible for UK fees) to apply for a widening participation scholarship.
Widening Participation Scholarship: Any UK candidates (or eligible for UK fees) is invited to apply. Our scholarships seek to increase participation from groups currently under-represented within research. A priority will be given to students that meet the widening participation criteria and to graduates of the University of Salford. For more information about widening participation, follow this link: https://www.salford.ac.uk/postgraduate-research/fees. [Scroll down the page until you reach the heading “PhD widening participation scholarships”.] Please note: we accept applications all year but the deadline for applying for the widening participation scholarships in 2024 is 28th March 2024. All candidates who wish to apply for the MPhil or PhD widening participation scholarship will first need to apply for and be accepted onto a research degree programme. As long as you have submitted your completed application for September/October 2024 intake by 28 February 2024 and you qualify for UK fees, you will be sent a very short scholarship application. This form must be returned by 28 March 2024. Applications received after this date must either wait until the next round or opt for the self-funded PhD route.
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Project description: The project is concerned with the simulation of condensed matter under conditions of high temperature and pressure beyond the critical point in the phase diagram and follows from recent combined experimental and theoretical studies of nitrogen and ethane under such conditions at Salford [1,2].
In particular simulations will employ a combination of first principles simulations within a density functional framework (here atomistic interactions are calculated by a density functional based framework describing the quantum mechanical nature of electrons) and semi-empirical approaches. Data science techniques will be employed to establish semi-empirical potentials based on first principles simulations facilitating the exploration of systems of increasing complexity.
Results of simulations will be used to further understand structure and dynamics and better understand the transition between rigid and non-rigid behaviour in molecular liquids. The project will utilise a variety of existing simulation codes alongside use and development of computational tools for analysis.
The project will utilise in house high performance computing facilities as well national facilities for more demanding cases.
Applicants should have a good degree in physics, chemistry or a closely related subject and have an aptitude for computing including programming and the use of tools within linux.
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