The consortium is a broadly based but coherent grouping comprising 36 university groups, with the emphasis on modelling at the atomic and molecular level but with growing links to models at larger length and time scales. Founded in 1994, the current scientific programme is built around seven related themes: catalysis, energy storage and generation, surface and interfacial phenomena, nano- and defect structures, soft matter, biomaterials, environmental materials. The Consortium has an active programme of code development and optimisation, tapping into the ecosystem of UK based software development initiatives including CoSeC.
CoSeC supports the consortium across the range of techniques used by its members, embracing both force-field methods employing static and dynamical simulation methodologies and electronic structure methods with a strong emphasis in recent years on Density Functional Theory (DFT) techniques employing both periodic boundary conditions and embedded cluster implementations. The four main codes supported by CoSeC are: DL_POLY, DL_FIELD, CHEMSHELL, and CRYSTAL.
More information: HEC MCC website
