Linear and non-linear vibrational spectroscopy provides a powerful tool to probe the structure and conformational dynamics of nucleic acids. In the first part of my talk, I will describe our recent progress on the modeling of vibrational spectra of nucleic acids. We have developed vibrational frequency maps and coupling models that allow one to calculate the vibrational Hamiltonian, and thus the vibrational spectra, of nucleic acids in the base carbonyl stretch region directly from MD simulations.

Abstract: The research aimed at understanding of electrochemical interfaces will be presented, along with its impact on the design and synthesis of materials that are employed in electrochemical systems for energy conversion and storage. The key physical parameters that are responsible for functional properties of solid-aqueous, solid-organic and solid-solid electrochemical interfaces will be discussed.

In this talk, I will discuss some of our recent efforts to understand how simple reactions that rearrange charge are altered when embedded in complex, fluctuating environments. In the first part, I show how liquid-vapor interfaces can modulate aqueous chemistry. Specifically, I will discuss how the facile charge separation of N2O5 occurring via interfacial hydrolysis leads to efficient gaseous uptake into aqueous atmospheric aerosols, offering an irreversible sink of NOx compounds in the nighttime air.

Creating the Building Blocks of Quantum Materials