Research Physical

Physical Research

The Department of Chemistry at the University of North Carolina at Chapel Hill, offers a wide range of research opportunities in theoretical and experimental physical chemistry. Our program has broadened from its traditional areas of excellence in molecular chemical physics to include research activities in biophysical and materials sciences. Experimental efforts within these areas involve development and applications of state-of-the-art instrumentations, such as high-resolution ultra-fast laser systems, molecular beam techniques, multi-dimensional spectroscopies, and near-field optics, et cetera.

In addition to traditional areas of chemical theory, recent theoretical chemistry research involves development and applications of new computational methods in quantum/statistical mechanics and polymer physics for studying novel physical phenomena in a wide range of systems from nano-materials to biological membranes. Students have access to several massively parallel high-performance computers at UNC Research Computing, one of the best university computing facilities in the country.

The University of North Carolina at Chapel Hill is also home to home to a number of theoretical/computational research groups that are interested in studying exciting problems in molecular, materials, and condensed matter sciences.

Recent Research Results

Initial pH Governs Secondary Organic Aerosol Phase State and Morphology after Uptake of Isoprene Epoxydiols (IEPDX)

Herein, we show distinct differences in the morphology, phase state, and chemical composition of individual organic–inorganic mixed particles after IEPOX uptake to ammonium sulfate particles with different initial atmospherically relevant acidities (pH = 1, 3, and 5).

All-Electron BSE@GW Method for K-Edge Core Electron Excitation Energies

We present an accurate computational approach to calculate absolute K-edge core electron excitation energies as measured by X-ray absorption spectroscopy.

Ultrathin Tin-Doped Titanium Oxide by Atomic Layer Deposition on a Mesoporous Substrate: Physical/Electronic Structure, Spectroelectrochemistry, and Interfacial Charge Transfer

We demonstrate that the insulating ZrO2 substrate allows for the (spectro)electrochemical analysis of ultrathin ALD coatings to assess the electronic structure as a function of composition.

Representative Publications

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