Research Associate in Development of Computational Methods for NanoElectrochemistry

Job summary

A postdoctoral position is available in the Computational NanoElectrochemistry group at Imperial College London, in collaboration with the National Physics Laboratory (NPL), UK and University of Zurich (UZH), Switzerland, CH. The project (https://gow.epsrc.ukri.org/NGBOViewGrant.aspx?GrantRef=EP/P033555/1) is on developing and applying new theoretical methodologies to enable grand canonical modelling of electrochemical (EC) transformations...

Job listing information

  • Reference NAT00416
  • Date posted 6 September 2019
  • Closing date 18 September 2019

Job description

Job summary

A postdoctoral position is available in the Computational NanoElectrochemistry group at Imperial College London, in collaboration with the National Physics Laboratory (NPL), UK and University of Zurich (UZH), Switzerland, CH.

The project (https://gow.epsrc.ukri.org/NGBOViewGrant.aspx?GrantRef=EP/P033555/1) is on developing and applying new theoretical methodologies to enable grand canonical modelling of electrochemical (EC) transformations under operating conditions, i.e. in the presence of an electric current and an applied potential. The developed tools will be used by the team to study (i) fundamental electro-catalytic phenomena at electrified interfaces, as found in corrosion and water splitting and (ii) current and bias induced effects at nanointerfaces, such as electromigration, electromechanics and redox/resistive switching.

Your will work on developing a stationary non-equilibrium reformulation of DFT based MD, where the functional embeds information on electronic currents and applied potential in addition to the equilibrium electron density. A key task will be the implementation of an interface between two very popular codes Smeagol (for electron transport) and CP2K (for DFT). The aim is to enable the calculation of current/bias induced forces, which will be used to perform grand canonical MD under current/bias.

You will be interacting with the main developers of Smeagol and CP2K codes at NPL and UZH

Duties and responsibilities

• To set up the simulation environment to perform molecular dynamics under bias by interfacing the Smeagol and CP2K codes, in collaboration with the main developers of these codes at NPL (UK) and UZH (CH).
• To support the other members of the team in the use of the developed 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

Essential requirements for the role include:

• A PhD (or equivalent) in physics, chemistry or related discipline.
• Experience of parallel programming in Fortran/C++ for distributed computing (e.g. MPI) and/or shared memory (e.g. OpenMP) architectures for scientific software development
• Experience of writing and/or using scientific modelling codes in a technical or research environment
• 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 co-supervise the work of a small team.
• Ability to develop and apply new concepts
• Creative approach to problem solving

Further information

The post is initially available for 2 years, with the possibility of extension.

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.

Please note this is a re-advertisement; previous applicants need not apply.

Should you require any further details on the role please contact: Dr. Clotilde Cucinotta c.cucinotta@imperial.ac.uk.  

Should you have any query on the application process, please contact: Mr. John Murrell j.murrell@imperial.ac.uk.  

Should you have any other queries please contact: recruitment@imperial.ac.uk.

Documents

About Imperial College London

Imperial College London is the UK’s only university focussed entirely on science, engineering, medicine and business and we are consistently rated in the top 10 universities in the world.

You will find our main London campus in South Kensington, with our hospital campuses located nearby in West and North London. We also have Silwood Park in Berkshire and state-of-the-art facilities in development at our major new campus in White City.

We work in a multidisciplinary and diverse community for education, research, translation and commercialisation, harnessing science and innovation to tackle the big global challenges our complex world faces.

It’s our mission to achieve enduring excellence in all that we do for the benefit of society – and we are looking for the most talented people to help us get there.

Additional information

Please note that job descriptions cannot be exhaustive and the post-holder may be required to undertake other duties, which are broadly in line with the above key responsibilities.

All Imperial employees are expected to follow the 7 principles of Imperial Expectations: 

  • Champion a positive approach to change and opportunity
  • Communicate regularly and effectively within, and across, teams
  • Consider the thoughts and expectations of others
  • Deliver positive outcomes
  • Encourage inclusive participation and eliminate discrimination
  • Develop and grow skills and expertise
  • Work in a planned and managed way 

In addition to the above, employees are required to observe and comply with all College policies and regulations.

Imperial College is committed to equality of opportunity, to eliminating discrimination and to creating an inclusive working environment. 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.