The description of complex physical systems can be achieved, at varying levels of ab-straction, using methods of statistical mechanics, or molecular dynamics (MD) simula¬tions.
Part of the group's activities involves studies of systems and processes of biologi¬cal interest, e.g. the thermal and/or mechanical denaturation of DNA chains, and the properties of hydrogen bonding in electric fields.
Other work, done in close coordination with the materials synthesis & physical chemistry team, deals with the structural and dynamical aspects of glassy materials.
At a more microscopic level, we are working on interpolative computational schemes and in minimization schemes for excited state wave functions, for determining the electronic structure of small molecules and clusters, and on heterogeneous catalysis by small clusters.