The Fuhrer group seeks to use computational, theoretical means to solve practical chemical problems. Our focuses are on endohedral metallofullerenes and other carbonaceous nanomaterials and on fluorine containing organic molecules with applications in the health and polymer industries. We seek to understand the structure and properties of these materials at the microscopic and sub-microscopic levels. Methods employed will include ab initio Quantum Chemistry, Density Functional Theory, Molecular Mechanics and Molecular Dynamics.
