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PhD position in DFT-MD modelling of metal-oxide surfaces, and interfaces with water (University College Dublin, Ireland)

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  • Full or part time
    Dr N J English
  • Application Deadline
    Applications accepted all year round
  • Funded PhD Project (Students Worldwide)
    Funded PhD Project (Students Worldwide)

About This PhD Project

Project Description

A PhD position will become available in and around April 2018 at UCD in modelling of metal-oxide surfaces from molecular dynamics (MD) and Density Functional Theory (DFT), together with their interfaces with water. Code development will also be a feature, in terms of setting up and running simulations and also for post-simulation trajectory analysis. Applicants with a good background in Physics, Chemistry and solid coding skills in Fortran, C and Python/Perl are requested to apply. Any applicants having some experience with molecular-simulation methods are especially welcome to apply. Any experience of MD and empirical potentials will also be valued, particularly for water. Knowledge of Unix and compiling is a plus. Excellent English-language skills and verbal and written communication is key, coupled with a capacity to give clear and effective presentations.

How to Apply

Applications should be made to Prof. Niall English (Chem Eng, UCD) via e-mail at: [email protected]

Please include a very detailed CV, names and contact details of at least three referees, and a very detailed application letter where you address each and every one of the above-mentioned desiderata – how you fit in and what you feel you can do, and have done. A reasonably-detailed summary of programming projects, interests and accomplishments is needed. You can also email and attach the relevant information below.


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