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iCASE: Formulation Behaviour at Complex Liquid-Solid Interfaces


Project Description

A fully-funded iCASE PhD position in Formulation Behaviour at Complex Liquid-Solid Interfaces is available in the Multiscale Modelling Group at the University of Manchester, working with Dr Flor Siperstein and Dr Alessandro Patti, in collaboration with Dr Breanndán Ó Conchúir from IBM Research UK. The PhD will start in September 2020 or any time before this date by mutual arrangement. The research group focus is in the area of simulation of soft matter at an atomistic or coarse-grained level. For more information, please refer to our websites:
http://www.ceas.manchester.ac.uk/our-research/research-themes/
http://www.research.ibm.com/labs/uk/chemistry.html
The research will focus on the development and application of techniques that can rapidly setup, simulate, and accurately measure molecule-surface interactions related to the behaviour of industrially relevant formulations and surfaces. This will provide insight into the behaviour of complex fluids at solid interfaces, from microscopic (structural properties of the adsorbed fluid) to the macroscopic properties (adsorption isotherms and heats of adsorption).

In particular, we aim to develop accurate descriptions of the surfactants, solvents and surfaces to quantitatively predict adsorption isotherms in a wide range of conditions. Specific challenges include incorporating specific interactions and surface defects in coarse grained models to capture atomistic-scale effects; and executing sufficiently large-scale simulations with these models so all relevant components of the formulation can be accounted for at realistic concentrations.

Candidates with a strong background in chemical engineering, physics, applied mathematics, physical chemistry, computational chemistry, or computational materials science and, more importantly, strong motivation and enthusiasm for scientific research are encouraged to apply. Students should have or expect to graduate with a high first class or above and be available to start in September. Applications – short cover letter (describing background and motivation) and a complete CV – will be considered upon receipt and the position will remain open until filled.

Informal enquiries should be sent to

The project is open to a successful candidate starting as soon as possible. The PhD duration is 4 years.

Applicants should have or expect to achieve at least a 2.1 honours degree in Chemical Engineering, Physics, Applied Mathematics, Physical Chemistry, Computational Chemistry or Computational Materials Science.


Funding Notes

EPSRC / IBM Research UK funded project. EPSRC eligibility rules apply.

How good is research at The University of Manchester in Aeronautical, Mechanical, Chemical and Manufacturing Engineering?
Chemical Engineering

FTE Category A staff submitted: 33.90

Research output data provided by the Research Excellence Framework (REF)

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