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Research Interests and Accomplishments

Our research efforts fall under the general heading of molecular modeling/computational chemistry. Particular projects range from the development and implementation of new theoretical models (e.g., the spin-annihilated density functional method, Class IV charge models, and solvation models) to the application of standard theoretical methods to answer chemical questions. In the former area, the goal is to provide a general set of tools, ideally having broad applicability, to the greater chemical community; in the latter area, the goal is to address questions unresolved by present-day experiments and/or to guide future research efforts so that they may proceed in a more efficient manner.