Computational Chemistry to Predict the Colour of Molecules

A fully funded 3.5 year PhD studentship is available commencing October 2014 to work in the group of Dr Michael Peach, at the Department of Chemistry, Lancaster University, UK. Chemistry at Lancaster took its first intake of students in October 2013, and is an ambitious, rapidly expanding department. As part of this development, we are building a strong research theme in chemical theory and computation. Lancaster University is investing heavily in the infrastructure for the Department; research will be carried out in brand-new, custom-designed computational and practical laboratories.

This project is concerned with the development and application of new theoretical and computational chemistry techniques for the prediction of spectroscopic properties, and in particular, absorption and the colour of emission of molecules. We are particularly interested in molecules for use in organic light-emitting devices (OLEDs).
The project will involve the development of new techniques within time-dependent density functional theory (TDDFT), with an aim to provide a quantitatively correct description of the light interactions of molecules. The project will involve significant theory development, together with applications to technologically-relevant molecules in collaboration with experimental chemists.

The project will involve the development of new techniques within time-dependent density functional theory (TDDFT), with an aim to provide a quantitatively correct description of the light interactions of molecules. The project will involve significant theory development, together with applications to technologically-relevant molecules in collaboration with experimental chemists.
For more information on the research of Dr Michael Peach, see: http://www.peachspapers.com
Maths (familiarity with differential and integral calculus, 2nd order differential equations and group theory) and computer skills (a knowledge of linux and/ or programming) are essential. Training in the relevant quantum chemistry techniques and mathematical background will be provided. As a consequence, the ability to learn and the possession of excellent written and oral communications skills, is also essential, as is a significant interest in theoretical chemistry and spectroscopy. Prior experience with quantum chemistry computer codes is desirable.
Applicants should hold, or expect to receive, a 1st class or good 2:1 Masters-level degree or equivalent in Chemistry or an appropriate related science discipline.
Informal email enquiries prior to making an application are strongly encouraged; contact [Email Address Removed].
Applications should be made via Lancaster University’s online application system (see http://www.lancaster.ac.uk/study/postgraduate/how-to-apply-for-postgraduate-study/ for details).

Applications will be considered in the order that they are received and the position may be filled when a suitable candidate has been identified.

When applying please indicate the title of the studentship you are applying for.