Mathematical chemistry

I am interested in the generation of algebraic invariants to represent molecular structures, particularly in the use of matrix functions in tight-binding quantum molecular methods; the generalization of graph theoretic invariants, the study of spectral properties of molecular graphs and the elaboration of a theory combining the use of graph theory, quantum mechanics and statistical mechanics to understand the molecular structure. I am also interested in the development and application of theoretical methods to understand the interactions between small molecules and biological macromolecules, such as proteins, the study of the structure and dynamics of proteins and their application to understanding of biological function.