FROM TOPOGRAPHIES TO DYNAMICS ON MULTIDIMENSIONAL POTENTIAL-ENERGY SURFACES OF ATOMIC CLUSTERS

Multidimensional potential energy surfaces for systems larger than abo ut 15 atoms are so complex that interpreting their topographies and th e consequent dynamics requires statistical analyses of their minima an d saddles. Sequences of minimum-saddle-minimum points provide a charac terization of such surfaces. Two examples, Ar-19 and (KCl)(32), illust rate how topographies govern tendencies to form glasses or ''focused'' structures, for example, crystals or folded proteins. Master equation s relate topographies to dynamics. The balance between glass-forming a nd structure-seeking characters of a potential energy surface seems go verned by sawtooth versus staircase topography and the associated coll ectivity of the growth process after nucleation.