Research Fellow in Computational Chemistry

1000scholars; Southampton; On-site; GBP 37,000 - 40,000; Full time

Job summary

University of Southampton invites applications for a 24-month postdoctoral fellowship in computational inorganic chemistry within the EXPRESS Programme. The successful candidate will model precursor complexes, explore solvent speciation, and collaborate closely with electrochemistry experimentalists and an inorganic synthesis team.

Strong experience with wavefunction and density functional methods is required, along with excellent communication and organisational skills to work across

Qualifications

• Essential disciplinary research skills in computational inorganic chemistry.
• Experience with modern wavefunction and density functional methods.
• Ability to apply these methods to inorganic systems.

Responsibilities

• Model the behaviour of novel transition metal precursor complexes using computational methods.
• Collaborate with experimentalists in electrochemistry and with the synthesis team.
• Interact with colleagues across the EXPRESS consortium to achieve programme goals.

Skills

Computational inorganic chemistry

Wavefunction methods

Density Functional Theory

Interdisciplinary collaboration

Communication skills

Organisational skills

Job description

Full Time Fixed Term for 24 months

We are looking to appoint a skilled postdoctoral researcher with experience and expertise in computational inorganic chemistry, to be based in the School of Chemistry and Chemical Engineering at the University of Southampton as part of the group of Prof. Gill Reid ([e-mail]) and Em. Prof. John Dyke ([e-mail]).

This postdoctoral fellowship is part of the EXPRESS Programme Grant (Exploiting Single Source Precursors for the Electrochemical Growth of Functional 1D and 2D Metal Dichalcogenide Semiconductors) recently awarded by the UK Engineering and Physical Sciences Research Council (EPSRC). EXPRESS is a large (>£10M) flagship, interdisciplinary research programme over 5-years. It is led jointly by the Universities of Southampton and Warwick, alongside several international and industrial partners, and brings together internationally leading teams from across chemistry, physics and electronic engineering. It aims to deliver a step-change in the understanding and control of electrochemical growth of high-quality mono/few-layer functional transition metal dichalcogenides TMDCs, combining precursor design and synthesis, electrochemistry, solution and surface computational modelling, advanced characterisation and device integration. In addition to the essential disciplinary research skills, candidates should demonstrate a genuine enthusiasm for collaborative working, the ability to communicate effectively across disciplines, and well-developed organisational skills.

In this role your primary focus will be using computational methods to model the behaviour of novel transition metal precursor complexes and other molecular compounds and ions in electrochemically relevant solutions, exploring their speciation in a range of relevant solvents and in the presence of a range of other species such as additives and inhibitors. You should have a good understanding of, and experience with, modern wavefunction and density functional methods, and have had experience in applying these methods to inorganic systems.

You will work in close collaboration with other computational experts and with experimentalists in electrochemistry studying the electrochemical properties of the precursors and the TMDC nucleation and growth processes, and with the inorganic synthesis team who will prepare the precursor compounds. You will be required to be flexible and interact effectively with colleagues across the wider EXPRESS consortium to fulfil the scientific goals of the Programme.

The position is offered for 24 months in the first instance, with the possibility of extension.

£36,636 to £39,906 per annum