Research Fellow in Computational Modelling of Heterogeneous Catalysis
Sunday, 7th November 2021
£31406 to £40927 per annum (pro-rata if applicable) depending on skills and experience. Salary progression beyond this scale is subject to performance.
Metal Atoms on Surfaces and Interfaces (MASI) is a large-scale
multidisciplinary project spearheaded by four UK universities (Nottingham,
Cardiff, Cambridge, and Birmingham) simultaneously addressing two grand
challenges: sustainable use of metals and low-carbon technologies. The project
is motivated by natural (limited resource of critical metals) and
anthropogenic (overpopulation, global warming) threats rapidly beginning to
impact society. The multidisciplinary holistic research methodology of MASI
will stimulate innovation across different sectors and accelerate the
translation of fundamental discoveries for clean technologies, thus realising
the Productive Nation, Resilient Nation and Healthy Nation EPSRC ambitions.
The project consists of four interconnected Themes addressing the fundamental
aspects of metal nanocluster formation (A), metal-support interactions
(B), imaging & analysis of nanocatalysts in action (C) and harnessing
their catalytic properties in key reactions, including CO2 valorisation, and
ammonia synthesis (D), funded by the EPSRC Programme Grant for a period of
We seek to appoint an innovative computational chemist with a broad range of
experience in ab initio codes, data acquisition, and data analysis
methodologies who will join the multidisciplinary MASI team. The Research
Fellow will be appointed for two years and will bring expertise in
computational modelling of heterogeneous catalysts, including interactions and
bonding of small molecules (e.g. CO2, H2, N2) with metal nanoclusters and
chemical reactions on metals and hybrid interfaces. The Research Fellow will
become part of the Computational Materials Science group, led by Prof. Elena
Besley (https: // ebesley.chem.nottingham.ac.uk/).
The Research Fellow is expected to use high-performance computing to simulate
interfacial chemical reactions and transport phenomena focusing on catalytic
activity and selectivity of different metal nanoclusters in a range of
chemical reactions. PhD in Chemistry, Physics, Chemical Engineering, or
related field; knowledge of the concepts of density functional theory and
first-principles molecular dynamics simulations; experience in the application
of first-principles simulations to heterogeneous catalysis and complex
reactive interfaces involving metal nanoclusters are essential.
This is a full-time (36.25h per week), fixed-term appointment of 2 years.
Job share arrangements may be considered.
Informal enquiries may be addressed to Prof. Andrei Khlobystov, email:
firstname.lastname@example.org and Prof. Elena Besley, e-mail:
email@example.com. Please note that applications sent directly to
this email address will not be accepted.
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fundamental to our values and enriches life on campus. We welcome applications
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we offer our international colleagues, see our Moving to Nottingham pages.
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visa and the immigration health surcharge, plus an interest-free loan to help
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Job Description/Role Profile
Information for candidates ( pdf doc )