From X-ray diffraction to molecular simulations: celebrating Professor Angelo Gavezzotti’s contributions to crystal science
Professor Angelo Gavezzotti’s scientific works have shaped the field of structural chemistry and inspired crystallographers and molecular modellers alike. To honour his legacy in this contribution, the Durham Molecular Crystals and Crystallisation (DuMoC2) group (and friends) have reviewed his work with a touch of humour and enormous gratitude. After presenting a concise review of his scientific contributions to crystallography and molecular modelling, the Gavezzotti Structural Database (GSD) was compiled and compared to the Cambridge Structural Database (CSD). We then used Angelo’s PIXEL method to analyse some of the GSD crystal structures. Together, through the writing of this paper, we celebrate Angelo’s career.
Authors
- Roger J. Davey (ORCID: https://orcid.org/0000-0002-4690-1774)
- R. D. Young (ORCID: https://orcid.org/0000-0002-4527-1811)
- Amy Woods-Ryan (ORCID: https://orcid.org/0000-0002-6688-2822)
- Aurora J. Cruz‐Cabeza (ORCID: https://orcid.org/0000-0002-0957-4823)
- Pietro Sacchi (ORCID: https://orcid.org/0000-0001-5066-4508)
- Jennifer J. Maunder (ORCID: https://orcid.org/0000-0002-7464-0428)
- Luca Sironi (ORCID: https://orcid.org/0000-0003-2839-4243)
- Simon Black (ORCID: https://orcid.org/0000-0003-3147-376X)
- Amy V. Hall (ORCID: https://orcid.org/0000-0002-3664-9229)
- Toby J. Blundell (ORCID: https://orcid.org/0000-0002-7296-1471)
- Natalie E. Pridmore
- Fragkoulis Theodosiou
- Jan Rzepa
- Amrita Chattopadhyay (ORCID: https://orcid.org/0000-0002-1671-4476)
- Henry Holleb
- Marta Brocca
- Zhao Jiang
- Judith A. K. Howard
- Louis O. Jones
Institutions
- University of Milan (IT)
- Durham University (GB)
- University of Manchester (GB)
- Cambridge Crystallographic Data Centre (GB)
Publication Details
- Journal
- Structural Chemistry
- Published
- 2026-01-03
- DOI
- https://doi.org/10.1007/s11224-025-02683-4
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00