Research Associate in Data Driven Multiscale Modelling of Electrolyte/Solid Interfaces

The University of Manchester ,
Manchester, Greater Manchester
More Details

Overview

Job Description

Applications are invited for a fully funded 1 year postdoctoral research associate (PDRA) to be conducted in the Department of Chemical Engineering & Analytical Science in the University of Manchester. This project is a collaborative project supported by a EU Innovation Action involving a large consortium of academic institutions and private sectors and aims at establishing a new European Virtual Marketplace for material modelling. The PDRA position available at Manchester will develop a novel multiscale workflow to model the neutral and electrified interface between electrolyte solutions and graphitic surfaces. The procedure developed within the project will be implement into the virtual materials marketplace VIMMP created by the consortium. The workflow will combine machine learning algorithms, quantum and atomistic modelling techniques (DFTB) with the ambition to develop a homogenization model for predicting the surface polarizability. The successful applicant will work closely with researchers working in IBM Zurich to develop the machine learning algorithms and with researchers in Électricité de France (EDF). The project requires a strong link between the team developing the methodology and those developing the marketplace where the workflow will be implemented, therefore pre-knowledge in at least one scientific programming language is a requirement. The PDRA will be also involved in the knowledge transfer activities with all the industrial stakeholders and will have the opportunity to directly work with several small and large private companies collaborating in developing the marketplace. Applicants must have experience in using machine learning algorithms, quantum chemical methodologies and/or atomistic (Molecular Dynamics and/or Montecarlo) models. Good theoretical background in the physical chemistry of electrolytes, polyelectrolytes, graphitic and/or metal surfaces is also required. Proficiency in one scientific programming language (Fortran, python, C++, etc.) and ability to translate theoretical concepts into algorithms is also required. It is also required that candidates have expertise in one or more of the following: (i) simulations of electrolytes; (ii) DFTB or DFT; (iii) atomistic modelling; (iv) electrochemistry. Candidates who have experience of working in a multidisciplinary project and working with industry will be particularly welcome. Candidates should already hold or be nearing completion of a Ph.D./D.Phil. in an area relevant to the position requirements (e.g. chemistry, physics, material science, chemical engineering). The department is strongly committed to promoting equality and diversity, including the Athena SWAN charter for gender equality in higher education. The School holds a Silver Award which recognises their good practice in relation to gender; including flexible working arrangements, family-friendly policies, and support to allow staff achieve a good work-life balance. We particularly welcome applications from women for this post. All appointment will be made on merit. For further information, please visit: Please note that we are unable to respond to enquiries, accept CVs or applications from Recruitment Agencies. Enquiries about the vacancy, shortlisting and interviews: Name: Paola Carbone Email: paola.carbone@manchester.ac.uk General enquiries: Email: hrservices@manchester.ac.uk Tel: 0161 275 4499 Technical support: Email: universityofmanchester@helpmeapply.co.uk Tel: 0161 850 2004 This vacancy will close for applications at midnight on the closing date. Please see the link below for the Further Particulars document which contains the person specification criteria.

People also viewed