Speaker: Ikumi Ellis (Arizona State University)

Location and Time: AC1 123, 2:50–3:20pm

Title: The Mathematics behind the Molecule: Uncovered Mysteries of Molecular Quantum Mechanics

Abstract: From the dynamics of subatomic particles to the synthesis of complex molecules, Chemistry is largely governed by mathematics, with a wide range of formulas existing to derive atomic structure, dynamics, and interactions. Despite modern developments in our understanding of electronic structure and chemical dynamics, much of molecular quantum mechanics remains unknown. The ability to accurately predict the physical and chemical properties of molecules and materials by solving the Schrödinger equation for the system has proven useful in many fields of engineering and science. The complexity of quantum mechanics, however, requires that simplifying approximations and assumptions be made in order to predict system states, compromising accuracy for computational cost. While much of molecular quantum mechanics remains unknown, the further elucidation of the mathematical elements of quantum chemistry will lead to greater understanding of molecular properties, further supporting its relevance and importance in modern science.

This presentation focuses on the current state of molecular quantum mechanics in chemistry, as well as some of its limitations and future implications.