Development of error correcting quantum computers for practical computations still lies out of reach. However, many algorithms have been designed for use with near-term quantum computers, commonly referred to as Noisy Intermediate-Scale Quantum (NISQ) devices. On such devices, there is a conflict between increasing computational power while maintaining a short quantum circuit depth. More circuits are needed to simulate more complex systems, but at the cost of a deeper quantum circuit which is often not achievable on NISQ devices.

The cyano radical (CN) is an abundant, open-shell molecule found in a variety of environments, including the atmosphere, the interstellar medium and combustion processes. In these environments, it often reacts with small, closed-shell molecules via hydrogen abstraction. Both carbon and nitrogen atoms of the cyano radical are reactive sites, however the carbon is more reactive with reaction barrier heights generally between 2-15 kcal/mol lower than those of the analogous nitrogen.

Nitrite (NO₂^–) reduction to gaseous nitric oxide (NO) is a 2H⁺/1e^– transfer process that can be catalyzed by heme enzyme nitrite reductase (NiR). It is critical in maintaining the balance of the global nitrogen cycle because it is the first committed step in the denitrification process.

Metals are ubiquitous in nature. In fact, more than 30% of all proteins require a metal for proper folding or function. In this talk, I will focus on how my lab uses a range of spectroscopic characterization tools to define the role of metals on protein structure and formation of dynamic protein-protein complexes.

Living organisms have evolved sophisticated systems to exploit unique properties of d-block metals for catalysis, cell signaling, and gene regulation. A challenge is how to efficiently and specifically uptake, excrete, and distribute/redistribute these low-abundance trace elements at the systemic and cellular levels. Transition metal transporters are central players in these processes by controlling the flux of metals across cell and organelle membranes.

Human manganese superoxide dismutase is a critical oxidoreductase found in the mitochondrial matrix. Concerted proton and electron transfers are used by the enzyme to rid the mitochondria of O₂^•−. The mechanisms of concerted transfer enzymes are typically unknown due to the difficulties in detecting the protonation states of specific residues and solvent molecules at particular redox states.

Dioxgyen (O₂) activation and reduction are not only vital for aerobic life, but also essential to industrial applications such as sustainable fuel cells. Dioxgyen is clean, abundant, and a powerful four-electron oxidant, but also kinetically inert and requires activation.

            The incorporation of boron into conjugated organic molecules has emerged as a useful strategy to elicit interesting optical and electronic properties which cannot be obtained with the analogous all-carbon systems. Thus, the synthesis of organoboron heterocycles has been a topic of intense investigation across main-group, organic, and inorganic chemistry, as well as materials science.

Magnetic Resonance Imaging is a diagnostic method used to image organs and soft tissue in the body. The instrument relies on the use of magnets and radiofrequency radiation to examine the proton nuclei of water within tissue and organs. Through use of contrast agents, the images acquired can have improved detail which is critical for diagnoses of tumors, inflammation, and other abnormalities. These agents utilize paramagnetic metals to induce magnetic effects on the protons, enabling a change in proton relaxivity.