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Computational and Data Sciences Team Leader

The Cambridge Crystallographic Data Centre (CCDC)
Cambridge, Cambridgeshire (GB)
Closing date
16 Jan 2022
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Job Details

The Computational and Data Sciences Team Leader will provide leadership to the CCDC’s newly formed Computational and Data Sciences team responsible for developing the science to support integration of state-of-the-art computational chemistry outputs with data-based insights. CCDC currently supports developments in the storage, visualisation, and management of predicted crystal structure data for pharmaceutical applications, but under appropriate leadership and guidance will expand the remit to include new developments supporting functional materials design. The team will be responsible for scientific collaborations in appropriate fields, publication of scientific advances, and developing research into testable prototypes to support commercial software development.

The successful applicant will be responsible for developing and delivering the scientific strategy for computational and data science at CCDC, in addition to supporting the growth and development of team members through setting challenging but achievable objectives. As a member of the Scientific Research Council at CCDC, the post holder will influence and support the overall scientific research directions being taken across the Science and Data functions at CCDC to improve our users' abilities to conduct research in Crystallography, Drug Discovery, Pharmaceutical and Functional Materials Science. It is anticipated that the post holder will provide expert input into the development of CSP-based tools and new functional materials-based tools, and approaches to link data, AI / ML techniques, and computational chemistry methods to advance CCDC’s position in the field. Applicants to this Cambridge UK-based post must have excellent oral and written communication skills for delivering presentations at conferences and publishing high-quality research papers in the fields of crystallography, pharmaceutical materials science and functional materials science.

For further details on this position, please see the full Job Description and Person Specification as detailed on the Careers page of the CCDC website.


The scientists and software developers at the CCDC create and supply the database system storing all the world's published 3D structures of small-molecule chemicals. This system is used by thousands of organisations in over 70 countries. We’re a professional organisation, established as a not-for-profit company and registered charity. Although independent, we are a University of Cambridge Partner Institute. We offer an excellent benefits package and a competitive salary in a lively and friendly organisation of around 70 staff worldwide.

Our activities span scientific research, software development, finance, IT systems, commercial, and support - and we need great people in every team to continue our mission to advance structural science!

Find Us
01223 336408
12 Union Road
United Kingdom
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