Computational chemistry tools are very helpful in solving many problems in chemistry and biochemistry areas. Currents interests in the Zhang laboratory include: 1) high accuracy calculations of spectral (such as NMR, ESR, Mössbauer) properties to facilitate experimental spectra assignment and elucidation of unusual spectra, structures, and properties; 2) refinement of protein x-ray structures and development of high accuracy structure determination methods; 3) investigations on the structure and function of metallobiomolecules involved in cellular regulation and signaling and human diseases. Current interests in the Phillips laboratory include computational approaches to predict the properties of nanomaterials such as polymer-wrapped nanotubes and metallic nitride fullerenes. Magnetic materials are of particular interest.