Research Interests:
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.