Understanding defects in semiconductors - spin-off from technology, G.A. Baraff; ab initio Hartree-Fock treatment of ionic and semi-ionic compounds - state of the art, R. Dovesi et al; role of parallel architectures in periodic boundary calculations, M.C. Payne; discussion, A.M. Stoneham; crystal excitation - survey of many-electron Hartree-Fock calculations of self-trapped excitons in insulating crystals, A.L. Shluger et al; direct free energy minimization methods - application to grain boundaries, A.P. Sutton; discussion, P.A. Mulheran and A.M. Stoneham; theory of impurity and defect induced instabilities, D.J. Chadi; discussion, A.M. Stoneham; modelling of catalysts and its relation to experimental problems, C. Richard et al; the quantum-chemical basis of the catalytic reactivity of transition metals, R.A. Santen et al; discussion, P.C.H. Mitchell and A.M. Stoneham; simulation of growth processes, J.H. Harding; electronic structure of surfaces and of absorbed species, J.B. Pendry; discussion, A.M. Stoneham; classical and quantum simulation of the surface properties of x-A1203, W.C. Mackrodt; discussion, J.M. Thomas and G. Ackland; atomistic modelling of diffusional phase transformations, A. Cerezo et al; intermolecular interactions and the nature of orientational ordering in the solid fullerenes C60 and C70, Ailan Cheng et al; discussion, M. Lal; simulations of materials - from electrons to friction, Uzi Landman et al; ab initio cluster calculations of defects in solids, R. Jones; discussion, P.C.H. Mitchell; hardware and quantum mechanical calculations, E. Wimmer; discussion, A.M. Stoneham.
