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Postdoctoral Fellowship in computational modelli ... (No replies)

zhangxiaolei0208
7 years ago
zhangxiaolei0208 7 years ago

Applications are invited for a 2-year Post-doc Research Fellow post, to conduct pioneering research of one Leverhulme Trust funded project. The project is aimed to investigate the mechanism and kinetics of liquid fuel production from biomass through the technology of pyrolysis using Density Functional Theory (DFT). The successful candidate will work with Dr Xiaolei Zhang at Queen’s University Belfast, UK, as well as working closely with Prof Tony Bridgwater at Aston University, UK.

The project will involve using a range of computational methods. The work will be carried out using Quantum Chemistry modelling programme such as Gaussian 16, CASTEP, Dmol3 and VASP. Computational resources are available for this project through access to ARCHER, the UK National Supercomputing Service.

Candidates should have, or be about to be awarded, a PhD in computational chemistry or a related subject. A strong general background in computational modelling is essential, with experience in the use of DFT codes is an advantage. The candidate should have previous experiences in at least one of the following topics: Biomass thermal chemical conversion (pyrolysis, gasification, combustion); Reaction mechanism and kinetic investigation of the bioenergy process; Computational chemistry experience using DFT. Willingness to travel nationally and abroad is a must.

Informal enquiries may be made to Dr Xiaolei Zhang, [email protected]

Salary scale: £32,004 - £41,709 per annum (including contribution points)

Closing date: 24 August 2017

All applications must be submitted to the online application system at https://hrwebapp.qub.ac.uk/tlive_webrecruitment/wrd/run/ETREC107GF.open?VACANCY_ID=3141968L84&WVID=6273090Lgx&LANG=USA




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Ab initio (from electronic structure) calculation of complex processes in materials