Ph. Ferrara, A. Curioni, et al.
J. Chem. Inf. Model.
A brief survey is presented of recent simulations of small clusters, made with both ab-initio and classical approaches, with particular emphasis on the application of the Car-Parrinello method. The discussion mainly focusses on the structural properties of a variety of materials and on the effects of temperature. © 1991 Springer-Verlag.