Expressions of interest to conduct Ph.D. research in the field of molecular simulation applied to solar energy are invited, under the supervision of Prof. J.M.D. MacElroy and Drs. Niall English and Damian Mooney (School of Chemical and Bioprocess Engineering, UCD: www.ucd.ie/chembioeng).
A position is available in the field of classical and quantum molecular simulation, applied ultimately towards the study of photo-electron transfer in nano-structured materials. Any previous experience with theoretical, quantitative or computational modelling would be a distinct advantage, as would serial and parallel programming experience (Fortran or C) and general Unix-based computer and code compilation skills. The projects will give expertise to the students in the methods of both classical and quantum molecular simulation, numerical parallel programming and also open up career possibilities in the exciting area of (nano)materials science and energy research, either in industry, government laboratories or academia.
Specifically, the PhD position involves:
Molecular and electronic modelling of dye-sensitised and semiconductor nanorod cells
DFT and (excited state) CPMD modelling of charge photoelectron transfer in dye molecules adsorbed to titania surfaces will be carried out to gauge electron ifetime and optimal dye molecules. The student will also focus on the modelling of devices fabricated from type II-VI nanorod materials functionalised with phosphonic acid.
Those interested should contact Niall English for further discussions, and send a detailed CV along with a letter detailing their suitability for the position.
Dr. Niall English
School of Chemical and Bioprocess Engineering,
UCD Engineering and Materials Science Centre,
University College Dublin,
Dublin 4,
Ireland.
Tel: +353-1-716 1646
Email: niall.english AT ucd.ie
Web: http://www.ucd.ie/chembioeng/staff/niall_english.htm
Funding Notes
This is part of a larger inter-disciplinary SFI-funded Strategic Research Cluster (SRC) entitled “Advanced Biomimetic Materials for Solar Energy Conversion” coordinated by Prof. MacElroy, which offers possibilities for collaboration between experimental and theoretical groups. This involves academic researchers working in UCD, UL and DCU and industrial collaboration with key renewable energy partners. Specifically in UCD, the cluster entails collaborations between members of the Schools of Chemical and Bioprocess Engineering, Chemistry and Chemical Biology, Physics, and Electrical, Electronic and Mechanical Engineering. The stipend will be €16,000 p.a. with fees also covered, and projected start dates would be April or September 2008.
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