The Centre for Theoretical and Computational Chemistry (CTCC) was a Centre of Excellence established by the Research Council of Norway in 2007. Having successfully completed its ten-year research programme in 2017, the CTCC is no longer operational.
The CTCC was shared equally between its home institution UiT – The Arctic University of Norway and the University of Oslo. With a total of 150 members, the CTCC was a vibrant and productive research institution, with nearly 800 scientific publications and more than 13000 citations after ten years of operation. Many of its activities are continued at the Hylleraas Centre for Quantum Molecular Sciences, established in 2017. For more information about the CTCC, see the final report.
The cavity enclosing a benzene molecule. Different colors show the different patches. From a work published in J. Comp. Chem. 31, 1469 (2010).
The research carried out by the CTCC covered a broad range of themes, with equal emphasis on theory and application projects. Quantum-chemistry methods development used a broad range of techniques, including linear-scaling and periodic-boundary-condition methods, multiwavelet basis functions, and subsystem optimization. Application projects covered transition-metal chemistry, homogeneous and heterogeneous catalysis, bioinorganic chemistry, photochemistry, gas-phase chemistry, and reaction dynamics. Several projects were closely coupled with experimental work at the two universities.
CTCC had a generous visitor program. Besides appointing PhD students and postdocs, the CTCC also hosted visiting students and scientists for varying periods.