Research Associate in Computational Materials Chemistry

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

Cardiff School of Chemistry 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 sulphide photocatalyst with high selectivity and reactivity to catalyse the conversion of CO2 into fuel and/or useful chemicals. The appointee will use quantum mechanical techniques to characterise the geometric and electronic structure of multi-phase sulphide materials, calculate the effect of doping on fine-tuning band gaps, investigate the role of phase boundaries on the band gap alignment and separation of electron-hole pairs, and calculate the photo-catalytic reduction of CO2 at relevant surfaces. The post-holder will focus on the study of the photo properties of a range of transition metal sulfde materials in collaboration with experimental groups in Utrecht and Eindhoven Universities. S/he will develop and apply a range of complementary computational techniques to identify micro-structural characteristics of the sulfide materials, calculate photo-properties of the (doped) materials, and calculate the catalytic pathways and reaction mechanisms of the catalysed conversion of CO2 to fuel and/or chemicals. Specific activities will include the description of heterogeneous phase boundaries, the calculation of band gap alignments and the effect of dopants, reaction and activation energies, for comparison with experiment. Due to the requirements of this project, the role will be split between Utrecht and Cardiff, with the successful candidate expected to travel between the two locations over the course of the fixed-term period in order to complete the necessary research. Applicants should hold a Masters degree in Computational Chemistry or Computational Materials Science, and should also possess (or be about to obtain) a PhD in computational chemistry.Interviews for this post will be held on 18th September 2017. 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: £32,548 - £38,833 per annum (Grade 6).  It is not anticipated that an appointment be made above £34,520 per annum, Point 6.32.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.