Collaborative Computational Project for NMR Crystallography

CCP-NC supports a multidisciplinary community of NMR spectroscopists, crystallographers, materials modellers and application scientists by developing and integrating software across the area of NMR crystallography. This is an emerging field, recently recognised by the International Union of Crystallography, defined as the combined use of experimental NMR and computation to provide new insight, with atomic resolution, into structure, disorder, and dynamics in the solid state.

Support for the research community includes, but is not limited to:

  • development of data processing and visualisation tools
  • enabling the use of state-of-the-art electronic structure calculations
  • training and practical support for ab initio calculation of NMR parameters
  • travel fund
  • HPC access


HPC access on Thomas

CCP-NC members and their groups can now apply for access to Thomas, a new supercomputer. More details here

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Date: September 1st at 12:31pm

MagresView paper published

Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython

available here

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Date: August 18th at 2:25pm