As part of our ongoing commitment to collaboration across academia and industry the CCDC sponsors a number of PhD students each year.

Topics range across the chemical and biochemical fields, and each PhD is co-supervised by a CCDC team member, a university and in many cases an industrial partner.

For information on proposing a PhD please see this page.


Current CCDC PhD Students

Name Thesis Title Collaborating Institute(s) Supervisors
Pete Curran

Exploration of the size and makeup of the minimal biologically relevant chemical space as a function of molecular complexity.

UCB, University of Cambridge

Will Pitt (UCB)

David Spring (University of Cambridge)

Jason Cole (CCDC)

Didi Bibelayi Dikima

The use of CSD and QM calculations to perform a comparative study of the interaction geometries and energies of H-bonds to traditional acceptors with those to functional groups involving the chalcogens elements S, Se and Te

University of Kinshasa

Zéphyrin G. Yav (University of Kinshasa)

Juliette Pradon (CCDC)

Aurelia Li

The evaluation of the Cambridge Structural Database subset of metal–organic frameworks

University of Cambridge

David Fairen-Jimenez (University of Cambridge)

Seth Wiggin (CCDC)

Victor Do Nascimento

Computational tools for the prediction of crystalline hydrate formation of pharmaceuticals

University of Southampton, UK

Pfizer (Sandwich) UK

Graeme M. Day (University of Southampton)

Cheryl Doherty (Pfizer)

Angeles Pulido (CCDC)

Laura Straughair Predicting the propensity of solvate and hydrate formation in small molecule crystal structures University of Strathclyde

Blair Johnston (University of Strathclyde)

Andy Maloney (CCDC)

Sarah Wright Is Conformational Flexibility a Problem for Crystallisation? University of Manchester

Aurora Cruz-Cabeza (University of Manchester)

Roger Davey (University of Manchester)

Matt Bryant (CCDC)

Albert Sigha Lundemba

The use of CSD and QM calculations to investigate sigma-hole interactions made by the chalcogens S, Se and Te

The University of Kinshasa

Prof. Zéphyrin Yav (University of Kinshasa)

Juliette Pradon (CCDC)

Andre Frade Development and application of knowledge based molecular descriptors to the prediction of material properties

University of Oxford


Richard Cooper (University of Oxford)

Kevin Back (Pfizer)

Patrick McCabe (CCDC)

Katerina Vriza Machine learning identification of co-crystal formation University of Liverpool

Matthew Dyer (University of Liverpool)

Vitaliy Kurlin (University of Liverpool)

Pete Wood (CCDC)

Marc Short CatSD: Development of a Structural Database and Machine Learning Workflows for Catalyst Design University of Leeds

Bao Nguyen (University of Leeds)

Charlotte Willans (University of Leeds)

Clare Tovee (CCDC)

Mihaela Smilova Small Molecule Fragment Hotspot Analyses to Drive Semi-Automated Design of Selective Molecules across a Protein Family

University of Oxford

Ex Scientia

Brian Marsden (University of Oxford)

Anthony Bradley (Ex Scientia)

Jason Cole (CCDC)

Benoit Baillif Improving Ligand-Protein Affinity Prediction and Scoring Functions Using Proteochemometric Modelling and Deep Neural Networks University of Cambridge

Andreas Bender (University of Cambridge)

Ilenia Giangreco (CCDC)