The Baldridge Research Group Our research involves utilization of computationally derived chemical and physical properties, in conjunction with experiments, to enhance the understanding of control within technologically important chemical structures and reaction processes. Emphasis is placed on enhancements of quantum chemical algorithms specifically for application to a) conformational equilibria and dynamics, b) understanding and control of the detailed nature of the aromatic structure and character in materials, and c) the structure and dynamics of reactions in solution phase. In these applications, dynamical and nondynamical correlation, and solvation effects need to be addressed, but their operative nature is not yet completely understood, nor fully accounted for at all levels by available theoretical procedures. The studies build upon our quantum mechanical (QM) developments and advances in methodology, including reaction path following, dynamics, parallel tools, solvation techniques, and new procedures for analysis of quantum mechanical data using molecular graphics.
We welcome interested students to do their diploma work with us.
Interested students, please contact us regarding current positions and opportunities