Department of Chemistry

Physical and Theoretical Chemistry

Research ImageThe 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 surface chemistry, and materials and environmental sciences. Experimental efforts within these areas utilize state-of-the-art instrumentation, such as high-resolution and ultra-fast laser systems, molecular beam techniques, mass spectrometry, ion-scattering, scanning probe microscopy, and magnetic resonance spectrometry.

Research in theoretical chemistry involves developing computational models of chromatin, the structure of complex fluids, and polymer dynamics. Students at UNC have access to high-performance computer workstations, as well as RENCI/UNC Research Computing, which is home to one of the best computing facilities in the world, including a 4160-processor Dell Linux cluster.

 

Research Projects

Baer Group
Development of methods for a quantitative analysis of mixed aerosol particles; determination of particle morphology, and studies of chemical reactions of aerosol particles with various reactive gases.

Investigation of thermochemistry and reaction dynamics of organometallic compounds using photoelectron photoion coincidence spectroscopy (PEPICO)

Berkowitz Group
Using computer simulations techniques we study structural and dynamical properties of biological membranes and their interactions with proteins

Fecko Group
Probing the physical properties of biological systems with optical microscopy and spectroscopy techniques

Moran Group
Using nonlinear optics to investigate ultrafast dynamics of biomolecules

Papanikolas Group
Ultrafast Dynamics of Energy and Electron Transport in Nanoscale Polymeric Assemblies

Papoian Group
Applying advanced computational methods to study biological processes at multiple scales, from single protein functional dynamics and chromatin folding and stability to cell-level processes, such as stochastic signal transduction and regulation of cell motility

 

Representative Publications

Heat of Formation of the Allyl Ion by TPEPICO Spectroscopy. Nicholas S. Shuman, William R. Stevens, Katherine Lower and Tomas Baer. J. Phys. Chem. A, 2009, 113 (40), pp 10710–10716.

Counterion Atmosphere and Hydration Patterns near a Nucleosome Core Particle. Christopher K. Materese, Alexey Savelyev and Garegin A. Papoian. J. Am. Chem. Soc., 2009, 131 (41), pp 15005–15013.

Origin of the Hydration Force: Water-Mediated Interaction between Two Hydrophilic Plates. Changsun Eun and Max L. Berkowitz. J. Phys. Chem. B, 2009, 113 (40), pp 13222–13228.

Direct Imaging of Optical Cavity Modes in ZnO Rods Using Second Harmonic Generation Microscopy. Brian P. Mehl, Ralph L. House, Abhineet Uppal, Amanda J. Reams, Chuan Zhang, Justin R. Kirschbrown and John M. Papanikolas. J. Phys. Chem. A, Publication Date (Web): July 9, 2009.

Growth Dynamics and Morphology of Oleic Acid Vapor-Deposited on a Silica Surface. Eva R. Garland, Amy D. Lee, Tomas Baer, and Laura I. Clarke. J. Phys. Chem. C, 2009, 113 (6), pp 2141–2148.

Deconstructing the Native State: Energy Landscapes, Function, and Dynamics of Globular Proteins. Pavel I. Zhuravlev, Christopher Kroboth Materese and Garegin A. Papoian. J. Phys. Chem. B, 2009, 113 (26), pp 8800–8812.

Dissociative Photoionization of X(CH3)3 (X = N, P, As, Sb, Bi): Mechanism, Trends, and Accurate Energetics. Balazs Hornung, Andras Bodi, Csaba I. Pongor, Zsolt Gengeliczki, Tomas Baer and Balint Sztaray. J. Phys. Chem. A, 2009, 113 (28), pp 8091–8098.

Structure of submonolayer oleic acid coverages on inorganic aerosol particles: evidence of island formation. Eva R. Garland, Elias P. Rosen, Laura I. Clarke and Tomas Baer. Phys. Chem. Chem. Phys., 2008, 10, 3156 - 3161.

Molecular Noise of Capping Protein Binding Induces Macroscopic Instability in Filopodial Dynamics. Pavel I. Zhuravlev and Garegin A. Papoian. PNAS, June 25, 2009.

Molecular Renormalization Group Coarse-Graining of Electrolyte Solutions: Application to Aqueous NaCl and KCl. Alexey Savelyev and Garegin A. Papoian. J. Phys. Chem. B, 2009, 113 (22), pp 7785–7793.