Simulating the nucleation and growth of biominerals

Department of Materials Science and Engineering

Supervisor: Prof John Harding

Available immediately; a fully-funded 3.5 year EPSRC project studentship which is part of a major international collaboration funded as an EPSRC programme grant "Hard-soft interfaces: from understanding to engineering".

Many organisms make minerals for a wide range of purposes. The nucleation and growth of these minerals is controlled by organic molecules or arrays of molecules. This nanoscale control often results in minerals with highly complex shapes, unusual properties and phases. A major objective of this programme is to understand how this is achieved and then to design new materials and processes. Understanding of biomineralization is essential for progress in a wide range of fields including, carbon capture, environmental remediation, medicine and nanoscience.

The studentship will therefore focus on the simulation of nucleation and growth of biominerals (in particular calcium phosphate) both in solution and on arrays of molecules. A range of methods will be used including molecular dynamics, long timescale methods such as metadynamics and ab initio methods (to establish and validate the force-fields required). The simulations will be performed in close collaboration with the work of experimental groups both within the programme and international partners. There will be opportunities for visits to other groups both in Europe and the USA.

Extensive training in a range of simulation methods will be given as part of the programme. The group has two Beowulf clusters at Sheffield and access to time on the UK national computing service, HeCTOR, through the programme grant.

Applicants should expect to have (or obtain) a first or upper second class honours
degree in Physics, Chemistry or a related area. Due to EPSRC funding restrictions, only candidates from the UK or EU are eligible for full support.

If you wish to apply for either studentship, please send your CV to Karen Burton
(k.a.burton@sheffield.ac.uk) quoting the project title "Simulating the nucleation
and growth of biominerals". She will then send you full details of the application
procedure.

Informal enquiries can be directed to Prof. John Harding (j.harding@sheffield.ac.uk)