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PhD position on ab-initio simulation of electroc ... (No replies)

reinimaurer1
6 years ago
reinimaurer1 6 years ago
A fully-funded PhD studentship is available at the Department of Chemistry, University of Warwick with start date October 2018. 

As part of an experiment-theory collaboration, this project will study the initial stages of nanoparticle growth during electrodeposition and the stability 
of nanoparticles of different sizes on oxygen‐passivated diamond using ab‐initio simulation based on Density Functional Theory and the Density‐Functional Tight‐Binding method. 
The successful candidate will apply a range of computational methods including global optimization, ab-initio molecular dynamics, and ab‐initio thermodynamics, 
to study structural, thermodynamic, and kinetic aspects of electro‐nucleation on diamond.
This studentship is part of the EPSRC Centre for Doctoral Training in Diamond Science and Technology (DST CDT) and includes 
a specially-designed one year MSc course at the University of Warwick and two mini-projects, which relate to the PhD project.
This project is suitable for a student with a background in the physical sciences and the successful applicant will have a minimum of a 2:1 degree in a relevant discipline/subject area.

The DST CDT provides funding for the 4 year programme to UK and EU students
(to be eligible the candidate must have resided in the UK for three years prior to October 2018). These 4 year studentships pay a stipend to cover maintenance as well as paying the university fees and providing funding for mini-project, PhD travel expenses and research support. The stipends are at the standard research council rates. For more information, please contact Dr. Reinhard Maurer: [email protected] For more details on the DST CDT and the project, see: https://warwick.ac.uk/fac/sci/dst/



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Ab initio (from electronic structure) calculation of complex processes in materials