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Position: Research Associate in Software Development for Computational Materials Chemistry
Institution: University College London
Department: Chemistry
Location: London, United Kingdom
Duties: 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 on development and applications of hybrid Quantum Mechanical/Molecular Mechanical embedded cluster approaches to modelling spectroscopic signatures and reactivity of heterogeneous catalysts
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
   
Text: Research Associate in Software Development for Computational Materials Chemistry, - Ref:1745938 Click here to go back to search results Apply Now UCL Department / Division Chemistry Location of position London Grade 7 Hours Full Time Salary (inclusive of London allowance) ?35,328 - ?42,701 per annum 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 A Job Description & Person Specification for the post can be accessed at the bottom of this page. To apply for the vacancy please click on the 'Apply Now' button below. For informal enquiries, please contact Richard Catlow ( c.r.a.catlow@ucl.ac.uk ) and Alexey Sokol ( a.sokol@ucl.ac.uk ). Any queries on accessing the UCL online application link can be directed to hr.chem@ucl.ac.uk UCL Taking Action for Equality Closing Date 6 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. This appointment is subject to UCL Terms and Conditions of Service for Research and Support Staff. Please use these links to find out more about UCL working life including the benefits we offer and UCL Terms and Conditions related to this job. untitled Apply Now
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