Research Associate in Theoretical Chemistry

Cardiff University - Cardiff School of Chemistry

We seek to recruit an enthusiastic, highly motivated scientist with proven intellectual and technical abilities to work on project in computational molecular quantum mechanics. The 2-year project, funded by the Leverhulme Trust, aims to develop a new computational framework for analysing the outcome of an accurate electronic structure calculation in terms of quantities related to the traditional conceptual models such as curved arrows and frontier orbitals.

The project builds on the standard computational methodology for determining molecular electronic structure. New theory, and software that implements it, will be created to take the outcome of such calculations - molecular orbitals, electron pair correlation functions, and the underlying hamiltonian operator that determines them - and analyse them by characterising key molecular orbitals and their changes along a reaction coordinate.

Applicants must hold a postgraduate degree at PhD level in Theoretical Chemistry or a related discipline, or have relevant industrial experience.

For informal enquiries about the role and the School of Chemistry, please contact Professor Peter Knowles: e-mail ,Tel. +44 (0)29 2087 9182),

For further details about working at Cardiff University, please contact Ms Alison Blake (; 02920 874805).

This position is full time (35 hours per week) and is available from 1 September 2018 for 2 years.

Salary: £32,548 - £38,833 per annum (Grade 6). It is not anticipated that an appointment be made above £35,550 per annum (Point 33)

Important note: It is the University’s policy to use the person specification as a key tool for short-listing. Candidates should evidence that they meet ALL of the essential criteria as well as, where relevant, the desirable. As part of the application process you will be asked to provide this evidence via a supporting statement. Please ensure that the evidence you are providing corresponds with the numbered criteria outlined below. Your application will be considered based on the information you provide under each element.

When attaching the supporting statement to your application profile, please ensure that you name it with the vacancy reference number, e.g. Supporting Statement for 7230BR.

Please be aware that Cardiff University reserves the right to close this vacancy early should sufficient applications be received.

Cardiff University is committed to supporting and promoting equality and diversity and to creating an inclusive working environment. We believe this can be achieved through attracting, developing, and retaining a diverse range of staff from many different backgrounds who have the ambition to create a University which seeks to fulfil our social, cultural and economic obligation to Cardiff, Wales, and the world. In supporting our employees to achieve a balance between their work and their personal lives, we will also consider proposals for flexible working or job share arrangements.

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