Research Associate in computational modelling of electrochemical interfaces at the nanoscale
A postdoctoral position is available in the Computational Nano Electrochemistry group at Imperial College London. This position is in the framework of a multidisciplinary project on developing and applying new theoretical methodologies to enable the realistic modelling of electrochemical (EC) systems under operating conditions. Our team currently works to (i) develop the theoretical and computational tools to perform non-equilibrium molecular...
Job listing information
- Reference NAT00449
- Date posted 8 May 2019
- Closing date 11 June 2019
A postdoctoral position is available in the Computational Nano Electrochemistry group at Imperial College London.
This position is in the framework of a multidisciplinary project on developing and applying new theoretical methodologies to enable the realistic modelling of electrochemical (EC) systems under operating conditions.
Our team currently works to
(i) develop the theoretical and computational tools to perform non-equilibrium molecular dynamics under applied potential/currents
(i) understand fundamental electro-catalytic phenomena at electrified interfaces of interest for energy and nanotechnology, such as in water splitting, chemical fuel production and corrosion
(ii) unravel fundamental current and bias-induced effects at nanointerfaces, such as electromigration, electromechanics and redox/resistive switching.
You will work on applying and developing novel theoretical and computational methodology based on first principles to understand fundamental electro-catalytic phenomena at electrified interfaces of interest for energy and nanotechnology. You will use a combination of state of the art and newly developed techniques, including ab initio molecular dynamics and potential/free energy techniques. You will benchmark and pioneer the non-equilibrium MD methods which are being developed within the group and may carry out some implementation activities. You will be interacting with the main developers of Smeagol and CP2K codes at NPL and UZH.
The project may be carried out in collaboration with experimental groups, for instance within the Energy Futures Lab and the Grantham Institute.
Duties and responsibilities
- Work on realistic modelling of fundamental electro-catalytic phenomena at electrified interfaces of interest for energy storage and conversion.
- To collaborate and support the other members of the team in the use of the developed methodologies and software within their sub-projects.
- To support the lead investigator in the supervision of the other members of the team.
- To take the initiative in the planning of the research, in collaboration with and within the research area agreed with the lead investigator.
- To travel, as required, for meetings with actual and potential collaborators, and to attend conferences and training workshops.
- A PhD (or equivalent) in physics, chemistry or related discipline.
- Experience in electronic structure calculations, sampling methods (e.g. molecular dynamics, potential and free energy methods), calculations on condensed matter systems.
- Experience of developing scientific modelling codes in a technical or research environment will be considered an advantage.
- A strong background in fundamental physics and/or chemistry, electronic structure theory and/or modern computational approaches to materials.
- Excellent written and verbal communication skills.
- Ability to work as part of a team.
- Ability to develop and apply new concepts.
- Creative approach to problem-solving.
The post is initially available for 2 years, with the possibility of extension based on mutual agreement.
We offer a great working and scientific environment in an emerging group, the possibility to mature into a leader in computational electrochemistry with a multidisciplinary expertise, participation in international conferences, training, and the possibility to collaborate with experimental and theoretical groups.
Candidates need to complete an online application and include a cover letter, a motivation statement (300 words max) briefly describing your main research achievements to date and why you would like to apply for this post, a CV and publication list, the names and contact details of at least two referees.
*Candidates who have not yet completed their PhD will be appointed as Research Assistant with a salary of £34,397 to £37,486 per annum.
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