University of ExeterShield
The AIMPRO Group

The group, headed by Prof. R. Jones, specialises in first-principles investigations of clusters and supercells of atoms. The structural, electrical, optical and mechanical properties of molecules and solids are calculated using spin-polarised self-consistent local density functional pseudopotential techniques (the AIMPRO code). Calculations are carried out on very large atomic systems containing up to 800 atoms.

Applications range from studying macro-molecules and nanocrystals to the simulation of bulk materials. Many applications deal with the properties of defects in semiconductors and insulators and a hallmark of our approach is a close collaboration with experimental and theoretical groups throughout the world.

Current group members Latest publications, older publications
Current projects Recent posters, and theses
Useful links Collaborative and associated groups
Membership of networks
Symmetry tables
AIMPRO workshops Computing resources
AIMPRO Peripherals and Info list (restricted access) AIMPRO TUTORIALS
Local group seminars  

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