CHEMISTRY

Research in the group, led by Kim Baldridge, uses 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 conformational equilibria and dynamics, understanding the detailed nature of the aromatic structure and character in materials, and the structure and dynamics of reactions in solution phase. A key part of this is the development of software for understanding chemical reactions, and the application of methods for accurate calculations of molecular properties.