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Research Fellow in Computational Chemistry (101527-049)

University of Warwick - Department of Chemistry

Location: Coventry
Salary: £30,395 to £39,609 per annum
Hours: Full Time
Contract Type: Fixed-Term/Contract
Placed On: 18th April 2019
Closes: 26th May 2019
Job Ref: 1805096

Start Date: 1st of August 2019 or soon thereafter

Full-time fixed-term contract for 36 months

Applications are invited for a post-doctoral research fellow position in the group of Dr. Reinhard Maurer in the Department of Chemistry at the University of Warwick. The successful candidate will be offered a 36-month appointment working on a new project entitled “Ab-initio simulation of hot-electron effects in plasmonic catalysis”.

The Maurer group at Warwick ( focuses on the theory and computational simulation of chemical reactions at surfaces. Using state-of-the-art electronic structure methods, our goal is to find a detailed understanding of the explicit dynamics of molecular reactions as they appear in heterogeneous catalysis, photochemistry, and nanotechnology. Our method development efforts target the efficient simulation of nonadiabatic and quantum effects in heterogeneous catalysis, photo/electrochemistry, and gas-surface dynamics.

This project will focus on the computational study of light-induced hot-electron-effects in plasmonic catalysis and ultrafast dynamics at metal surfaces. By combining electronic friction theory, Density Functional Theory, and machine-learning methods, the candidate will develop a first-principles-based simulation framework for the description of light-driven hot-electron effects in chemical reactions at metal surfaces and nanoparticles. This methodology will be applied to study light-driven hydrogenation and carbon dioxide reduction catalysis in collaboration with experimental partners.

You will be experienced in DFT-based condensed matter simulations and high-performance computing and possess significant software development skills. Ideally, you will have had prior experience working in heterogeneous catalysis, photochemistry, or surface science. You will be interested to work independently and within a team using molecular dynamics, electronic structure, and machine learning methods. You will hold (or be near completion of), a PhD or equivalent in a relevant scientific discipline (e.g. chemistry, physics, materials science).

If you have not yet been awarded your PhD but are near submission or have recently submitted your PhD, any offers of employment will be made as Research Assistant on level 5 of the University grade structure (£29,515). Upon successful award of your PhD and evidence of this fact, you will be promoted to Research Fellow on the first point of the level 6 of the University grade structure (£30,395).

We will provide you with a great range of benefits, which include an attractive pension scheme, 30 days’ holiday plus Christmas closure, some fantastic savings on a wide range of products and services, and excellent learning and development opportunities.

Interviews will be held week commencing the 3rd June 2019.

Athena SWAN Silver Award

We are committed to supporting staff to achieve their potential. Both the Department of Chemistry and the University of Warwick hold Athena SWAN silver awards, a national initiative that recognises the advancement of gender equality, representation, progression and success for all in academia. We are supportive of staff with caring responsibilities including a generous maternity/paternity/adoption/parental leave policy, onsite childcare facilities and the childcare vouchers scheme.

Closing date: 11:59pm on 26 May 2019

Full details of the duties and selection criteria for this role are found in the vacancy advert on the University of Warwick jobs page. You will be routed to this when you click on the Apply button.

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