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<p>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 (DuMoC<sup>2</sup>) 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.</p>

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From X-ray diffraction to molecular simulations: celebrating Professor Angelo Gavezzotti’s contributions to crystal science

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年1月3日

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  • Simon Black,
  • Toby J. Blundell,
  • Marta Brocca,
  • Amrita Chattopadhyay,
  • Roger J. Davey,
  • Amy V. Hall,
  • Henry A. Holleb,
  • Judith A. K. Howard,
  • Zhao Jiang,
  • Louis O. Jones,
  • Jennifer J. Maunder,
  • Natalie E. Pridmore,
  • Jan G. Rzepa,
  • Pietro Sacchi,
  • Luca Sironi,
  • Fragkoulis Theodosiou,
  • Amy Woods-Ryan,
  • Ross Young,
  • Aurora J. Cruz-Cabeza

摘要

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.