Research Fellow: Data Scientist for Materials Informatics/Materials

Institute for Materials Discovery

UCL, Gower Street, London, UK


  • Posted on: 22nd Nov 2021
  • Salary: £36,770 - £44,388 per annum
  • REF: 1880283
  • Closes: 20th December 2021
  • Contract Type: Fixed-Term/Contract
  • Hours: Full Time

Duties and Responsibilities

A postdoctoral Research Fellow position is immediately available in the Data-Driven Materials Discovery & Materials Informatics Group of Prof Adham Hashibon at the Institute for Materials Discovery IMD, University College London, UK. The group tackles grand challenges in green energy, healthcare, and sustainability by unravelling knowledge and insights both from data- and physics-based materials modelling.

Outstanding highly motivated candidates are sought with background in physical and engineering sciences, such as physics, materials, chemistry, computational biology, or similar, but also software engineering and computer science backgrounds or similar can be considered. Candidates are expected to contribute to the development of state-of-the-art Materials Informatics (MI) Platform. The MI-platform supports rapid development of novel sustainable materials. The position requires developing innovative applications utilising knowledge graphs, data science paradigms, web frameworks (JavaScript, NodeJS, vue.js, or other), virtualisation (e.g., docker) and cloud technologies that enable collaborative sharing and mining of data for materials discovery.

The position is supported primarily by the European Commissions Horizon 2020 grant DOME4.0: Digital Open Marketplace Ecosystem 4.0 and is initially for 12 months with the possibility to renew for another 12 months (upon mutual agreement and availability of funding etc.).

Key Requirements

PhD or equivalent work experience in computational materials science, physics, chemistry, or engineering related topics (including computer science or data science). Demonstrable experience in either electronic first principles Density Functional Theory (DFT) methods or atomistic molecular dynamics (MD) or similar. The successful candidate must have a keen interest developing and understanding web based frameworks such as React, angular, vuejs, nodejs, etc., proven experience in such applications is beneficial.

Knowledge of computational modelling of materials in general, and specifically of Molecular Dynamics models (MD) is required. Ample interesting networking and collaboration opportunities with leading international researchers and industry are possible. The position will allow you to establish and further advance your skill set and expertise in the emerging fields of Materials Informatics, Machine Learning, Data Science and Digitalisation.

Further Details

A job description and person specification can be accessed at the bottom of this page.

To apply for the vacancy please click on the Apply Now button below.

For informal enquiries about the role, please contact Prof. Adham Hashibon (

Please send any queries regarding the vacancy or the application process to Ms Jo Donkin,

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Closing Date

20 Dec 2021

Latest time for the submission of applications


Interview date


This appointment is subject to UCL Terms and Conditions of Service for Research and Support Staff.

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