Research Associate in Computational Materials Chemistry

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Physical and Environmental Sciences,Chemistry,Materials Science,Computer Science,Computer Science

Short info about job

Company: Cardiff University

Department: Cardiff School of Chemistry

Salary: £32,004 to £38,183 Grade 6 p.a.

Hours: Full Time

Contract type: Fixed-Term/Contract

Type / Role: Academic or Research

Phone: +44-1206 2776214

Fax: +44-161 3071472

E-mail: N\A

Site:

Detail information about job Research Associate in Computational Materials Chemistry. Terms and conditions vacancy

We seek to recruit an enthusiastic, highly motivated scientist with proven intellectual and technical abilities to work on a computational catalysis project. The project, which is funded by EPSRC (Engineering and Physical Sciences Research Council) aims to develop and apply computational models to design zeolites with tailored selectivity and reactivity to catalyse the conversion of biomass components into useful chemicals. The appointee will integrate both quantum mechanical techniques and interatomic potential-based simulation methods to characterise zeolite structures and active (doped) sites, investigate the sorption and mobility of organic reactants, and calculate the catalytic pathways and reaction mechanisms of their selective conversion into tailored products.

The post holder will focus on the study of the sorption and conversion of organic molecules biomass within suitable zeolite frameworks. S/he will develop and apply a range of complementary computational techniques to identify micro-structural characteristics of the zeolite materials and follow the catalytic pathways and reaction mechanisms of the catalysed conversion of lignin fragments to fuel and/or chemicals. Specific activities will include the description of the reactive sites in the zeolite bulk and at the surfaces, the calculation of adsorption, reaction and activation energies, and the simulation of the mobility of the reactants and products as a function of temperature and pressure, for comparison with experiment.

Applicants should hold a Master’s degree in Computational Chemistry or Computational Materials Science, and should also possess (or be about to obtain) a PhD in computational chemistry.

Informal enquires should be made to Prof Nora H. de Leeuw [email protected];

For further details about working at Cardiff University, please contact Mr Alastair Baker ([email protected]; 02920 874073).

This position is full time (35 hours per week) and is available from 1 October 2017 for 18 months.

Salary: £32,004 - £38,183 per annum (Grade 6). It is not anticipated that an appointment be made above Point 6.32, which is £33,943 per annum.

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.

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 6372BR.

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