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CrystalMaker Software Ltd

As a continuation of an existing relationship, a KTP with CrystalMaker Software Ltd provided an opportunity to undertake commercial collaboration and new engagements, leading to further research. The KTP meant taking a current commercial software program and by adding new capabilities, transforming it from a purely visualisation and analysis product to one that has significant atomistic modelling capabilities.


CrystalMaker Software Ltd is a UK based company with an international market in academic software for visualising crystal and molecular structures and predicting their diffraction properties. The company received existing customer requests for more high end sophisticated modelling capabilities that would run on desktop machines.

To better understand the market and user requirements for an enhanced product, CrystalMaker Software Ltd sought academic input and materials modelling expertise incorporating the underpinning algorithms, and understanding of interatomic forces. This would then enable accelerated development of new products to meet the market needs in this niche area.

Queen Mary is a customer of CrystalMaker Software Ltd and was able to offer the significant expertise in modelling which was required, as well as an interest in developing new tools to support research and teaching.


CrystalMaker Software Ltd

  • Development of a more powerful modelling product
  • Insight into advanced research needs
  • Revision of licensing opportunities
  • Scope to enter a more lucrative research market
  • Increase in in house knowledge
  • Expected increase in turnover

Queen Mary

  • Increased understanding of industry needs
  • Exposure to product development pathway
  • Opportunity to develop a new product
  • Access to teaching and demonstration models of the product
“A unique chance to engage with world leading scientists and re-engineer our products to the highest levels.”
— David Palmer, CrystalMaker
“The Partnership gave us an incredible opportunity to help shape the tools for tomorrow’s research and education in a way that is rarely possible.”
— Martin Dove, Queen Mary
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