At the Invitation of Prof. Luana Pedroza, Dr. Mariana Rossi Discusses the Quantum Properties of Weakly Bound Systems in a Seminar at the Department of Physics

About the Seminar

Weakly bonded interfaces, composed of molecular and solid-state inorganic materials, exhibit a rich variety of nuclear motion and tunable nuclear structure that are intimately connected to diverse electronic properties in these systems.

In this seminar, Dr. Mariana Rossi will present advances in the use of density-functional theory and other ab initio techniques that capture nuclear motion to explore the properties of realistic interfaces [1].

She will also discuss the connections to first-principles approaches and machine learning methods [2,3]. Examples where the quantum nature of nuclei is key to understanding structural and electronic properties of these interfaces will be presented and analyzed [4]. Furthermore, the talk will highlight how such features can be identified through the simulation of experimentally observable quantities, like tunneling rate constants and advanced vibrational spectroscopy [5,6].