Atoms, Molecules and Clusters

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The Theoretical and Computational Chemistry Program in the Chemistry Division is supporting a research program by Professor R. Stephen Berry at the University of Chicago that is investigating several related topics. One goal is the elucidation of the dynamics of clusters, particularly phase changes in clusters and their relationship to bulk phase transitions. A related topic deals with surface melting and the development of an analytic theory of sintering and a quantifiable model for the disappearance of grain boundaries during sintering. A third area concerns computation of rotation-vibration levels of small polyatomic molecules. %%% Small clusters of tens to thousands of atoms provide an intermediate between isolated molecules, which have been extensively studied by chemists, and the condensed states of matter, which present many complicated features. The work of Professor Berry deals mainly with study of this intermediate scale of organization with the goal of learning basic principles that will be useful in macroscopic applications to bulk materials.