Research Associate in Software Development for Computational Materials Chemistry UCL Ref:1745938

UCL Department / Division:     Chemistry

Location of position:                 London

Grade                                       7

Hours                                        Full Time

Salary                                       £35,328 - £42,701 per annum (inclusive of London allowance)

Duties and Responsibilities

We are seeking a talented computational scientist to work with Richard Catlow and Alexey Sokol (Department of Chemistry, University College London) on development and applications of hybrid Quantum Mechanical / Molecular Mechanical embedded cluster approaches to modelling spectroscopic signatures and reactivity of heterogeneous catalysts. The project will require fundamental methodological developments, their implementation in the ChemShell code and applications to modelling reactivity of transition metal doped zeolites with a focus on transition metal controlled nitrogen chemistry in zeolite and protein environments. We are seeking a talented computational scientist to work with Richard Catlow and Alexey Sokol on development and applications of hybrid Quantum Mechanical / Molecular Mechanical embedded cluster approaches to modelling spectroscopic signatures and reactivity of heterogeneous catalysts. The project will require fundamental methodological developments, their implementation in the ChemShell code and applications to modelling reactivity of transition metal doped zeolites with a focus on transition-metal controlled nitrogen chemistry in zeolite and protein environments. The work on the project will be carried out in close collaboration with the team of ChemShell developers led by Tom Keal (STFC Daresbury) and experimental lead from Andrew Beale (UCL, Harwell Research Hub). 

This appointment is funded by the EPSRC for three years.

Key Requirements

The successful candidate will have a PhD degree or equivalent - or will have submitted their thesis prior to taking up the position - in Physics, Chemistry, Materials Science or a related discipline, with a strong research record in theoretical, computational or mathematical physics, chemistry, materials science or applied mathematics, and an expertise of modelling either solid-state or molecular systems. Good experience in scientific coding will be essential for the role as will be a proven track record in mathematical modelling and theory development. 

Candidates selected for interviews will be asked before the interview to provide an extended code sample from their previous research project along with a brief (1-page) description of the algorithm and programming solution used, and be prepared to explain during the interview the algorithmic decisions. During the interview candidates will also be expected to discuss the topic of hybrid QM/MM techniques with a focus on applications to framework materials and catalysis. 

Please note, the appointment at Grade 7 is dependent upon having been awarded a PhD; if this is not the case, initial appointment will be at Research Assistant Grade 6 (salary £28,014 - £32,830 per annum inclusive of London allowance) with payment at Grade 7 being backdated to the date of final submission of the PhD thesis.

Further Details

To access a Job Description & Person Specification and to apply for the vacancy please use the UCL job web site and search for the vacancy using Ref. 1745938.

For informal inquiries, please contact Richard Catlow ([email protected]) and Alexey Sokol ([email protected]). Any queries on accessing the UCL online application link can be directed to [email protected] .

UCL Taking Action for Equality

Closing Date   19 Oct 2018

Latest time for the submission of applications       23:59

Interview date   TBC

Our department holds an Athena SWAN Bronze award, in recognition of our commitment to advancing gender equality.