Computational and Data Sciences Team Leader

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

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 Cambridge Crystallographic Data Centre (CCDC) are world-leading experts in structural chemistry data, software and knowledge for materials and life sciences research and development.

  • We specialise in the collation, preservation and application of scientific structural data for use in pharmaceutical discovery, materials development and research and education.
  • We compile and distribute the Cambridge Structural Database (CSD), a certified trusted database of fully curated and enhanced organic and metal-organic structures, used by researchers across the globe.
  • We inspire the next generation of scientists through our educational and outreach activities, and through our PhD sponsorships.
  • We empower scientists of all backgrounds to achieve their research goals through our FAIRE access programme as part of our non-profit, charitable status.

Our cutting-edge software empowers scientists to extract invaluable insights from CSD and proprietary data, informing and accelerating their research and development.

Find Us
01223 336408
12 Union Road
United Kingdom

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