Research Associate in Materials Informatics
Found in: Talent UK C2 - 2 weeks ago
The position is based in the group of Professor Aron Walsh, who leads the Materials Design Group in the Department of Materials and the Thomas Young Centre at Imperial College London.
The research project concerns the development and deployment of data-driven approaches for materials chemistry and physics. The topics of interest include:
Inverse design of modular crystals, including metal-organic frameworksMachine learning forcefields to describe heat and charge transport in solidsIntegration of artificial intelligence techniques to enable new materials modelling workflowsThe target areas include clean energy conversion and storage, with a focus on semiconducting and mixed ionic-electronic conducting materials for photovoltaic and photoelectrochemical systems. Your cover letter should state your specific area of interest.
The Research Associate will be responsible for contributing to a high-quality research programme involving a range of materials modelling techniques. These include aspects of computer programming, high-performance computing on the national supercomputer ARCHER2, first-principles methods such as density functional theory, and machine learning methods such as crystal graph convolutional neural networks. You will help to mentor other group members and work closely with our experimental collaborators.
Key Responsibilities
Research Duties:
To take initiatives in the planning of researchTo direct the work of small research teamsTo identify and develop computational techniques for the collection and analysis of dataTo conduct data analysis and model buildingTo ensure the validity and reliability of data at all timesTo maintain accurate and complete records of all findingsTo write reports for submission to research sponsorsTo present findings to colleagues and at conferencesTo submit publications to refereed journalsTo provide guidance to staff and studentsCandidates/post holders will be expected to demonstrate the following:
Hold a PhD in theoretical or computational physical science or a closely related discipline, or equivalent research, industrial or commercial experiencePractical experience within a computational research environment and / or publication in relevant and refereed journalsExperience of electronic structure theory and methods for first-principles calculationsExperience of training and evaluating machine learning modelsExperience of coding in Python or Julia languagesExperience of scientific software developmentKnowledge of materials chemistry and physicsKnowledge of the chemistry of solar cells and solar fuelsKnowledge of machine learning applied to chemical systemsThe role is available to start from October 2024 or soon afterwards.
*Candidates who have not yet officially been awarded their PhD will be appointed initially at Research Associate (with a salary range of £40,694 to £43,888.
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