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  Uncertainty in phase diagram simulations with interatomic potentials


   Department of Physics

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  Dr J Kermode  Applications accepted all year round

About the Project

Atomistic simulations with interatomic potentials are very widely used throughout computational chemistry, physics and materials science. Currently many important processes are beyond the reach of quantum mechanical methods such as density functional theory; only empirical potentials can reach the necessary microstructural length scales and extended time scales. Currently it is almost impossible to put meaningful error bars on the output of complex atomistic simulations. This PhD project will address this challenge by relating simulation outcomes to the form and parameters of the potential, in collaboration with partners Ralf Drautz (ICAMS, Bochum, Germany) and Ryan Elliot (OpenKIM project, U. Minnesota, USA).

The EPSRC Centre for Doctoral Training in Modelling of Heterogeneous Systems (HetSys) training programme is designed to enable students to become high-quality computational scientists who are comfortable working in interdisciplinary environments, have excellent communication skills, and are well prepared for a wide range of future careers in areas where there is demonstrable need.

The four-year training programme consists of PhD project and integrated taught modules, leading to the award of a postgraduate diploma.

We are looking for enthusiastic students from across the physical sciences who enjoy using their mathematical skills and thinking flexibly to solve complex problems. We require at least a 2(i) honours degree at BSc or an integrated masters degree (e.g. MPhys, MChem, MSci, MEng etc.) in a physical sciences, mathematics or engineering discipline.

There is no formal deadline by which applications must be submitted, but applicants should note that applications can only be considered once all supporting documentation has been received, and that both places to study and available funding will be limited. Therefore early submission of your application to study is encouraged.

Please note applications for the studentship for an exceptional student of any citizenship closed on 31 January 2020.

https://warwick.ac.uk/fac/sci/hetsys/projects/2020/



Funding Notes

HetSys provides funding for the four-year programme to UK and EU students (who meet the required UK residency criteria). For other EU students, fee-only funding is available.

In addition, one studentship per year may be offered to an exceptional student of any citizenship. Applications for this studentship closed on 31 January 2020.

The studentships pay a stipend to cover maintenance as well as paying the university fees and research training support. The stipend is at the standard UKRI rate (for 2019/20 that is £15,009 per annum).

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