Research Associate in Development of Computational Methods for NanoElectrochemistry
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
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 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
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 firstname.lastname@example.org.
Should you have any query on the application process, please contact: Mr. John Murrell email@example.com.
Should you have any other queries please contact: firstname.lastname@example.org.
About Imperial College London
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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.
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