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Research Associate in Computational Modelling of Electrochemical Interfaces at the Nanoscale

Imperial College London - Department of Chemistry

Location: London
Salary: £40,215 - £47,579 per annum
Hours: Full Time
Contract Type: Fixed-Term/Contract
Placed On: 3rd July 2020
Closes: 20th August 2020
Job Ref: NAT00717

Job summary

A Research Associate 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 electrochemical nanojunctions, 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. 

Duties and responsibilities

  • Work on realistic modelling of fundamental electro-catalytic phenomena at electrified interfaces of interest for energy storage and conversion, such as e.g. metal water interfaces for water splitting.
  • To collaborate and support the other members of the team in the use of state of the art and developed methodologies, as well as software within their sub-projects.
  • To support the lead investigator in the supervision of the other members of the team.
  • To take 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.

Essential requirements

You must have a PhD (or equivalent) in physics, chemistry or related discipline.

You must also meet the following criteria:

  • A strong background in fundamental physics and/or chemistry, electronic structure theory and DFT based approaches to model materials, preferably including electrochemical interfaces.
  • Knowledge and preferably experience in applying sampling methods such as molecular dynamics and/or and methods for reconstructing potential and free energy surfaces.
  • Experience of using and/or developing scientific modelling codes in a technical or research environment
  • Excellent written and verbal communication skills.
  • Ability to work as part of a team.
  • Ability to develop and apply new concepts.
  • Independence and creative approach to problem solving
  • Knowledge and experience in applying or developing methods for molecular electronics will be considered an advantage.

Further information

*Candidates who have not yet been officially awarded their PhD will be appointed as Research Assistant within the salary range £35,477 - £38,566 per annum.

The post is initially available for 2 years, with the possibility of extension based on mutual agreement.

Candidates need to complete an online application and include a cover letter, a motivation statement (300 words max) briefly describing their main research achievements to date and why would like to apply for this post, a CV with full publication list, the names and contact details of at least two referees.

Should you require any further details on the role please contact: Dr. Clotilde Cucinotta

For technical issues when applying online please email

Committed to equality and valuing diversity, we are an Athena SWAN Silver Award winner, a Stonewall Diversity Champion, a Disability Confident Employer and work in partnership with GIRES to promote respect for trans people.

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