Tags: Physical Seminar


Recent Advances in Modeling Charge Separation of Conjugated Organics


Precision Infrared Spectroscopy in a Molecular Beam Experiment

With frequency combs having become available for the infrared regime, a new generation of precision spectrometers has been made possible. Combining the high power, wide range tunability, and narrow line width of OPO systems with the possibility to accurately determine their frequency via a frequency comb, spectrometers with a sub MHz accuracy are built.1 By locking the OPOs to the frequency comb their frequencies can be stabilized to an even…


Quantifying Sources of Error in QM Computations of DNA Intercalation

DNA Intercalators have been clinically used as anti-tumor, anti-parasitic, and anti-bacterial agents. One method used to discover novel intercalators involves screening large virtual libraries of drug-like molecules with docking programs. In general, these programs dock flexible ligands into a rigid receptor and then rank binding poses based on a qualitative scoring function. However, the binding of DNA intercalators is not described well by…


Dynamics of Photoinduced Charge Transfer in Transition Metal Coordination Complexes Studied with XUV Photoelectron Spectroscopy


High-level theoretical characterization of vinoxy radical oxidation


Unraveling Complex Pressure-Dependent Reaction Mechanisms in Autoignition and in Atmospheric Chemistry

Many important gas-phase processes (e.g. in Atmospheric and Combustion Chemistry) involve vast networks of coupled chemical reactions that occur simultaneously. Some of these reactions proceed via metastable intermediates, resulting in very complex T­- and P-dependent behavior. The study of such systems often requires development of new experimental tools, capable of probing of numerous chemical species at once over a wide range of conditions.…


Computational Prediction of Ligand Binding Affinity


Predictive, Automated Computational Combustion Chemistry


New potential energy surface for the Al + CO2 -> AlO + CO reaction


Nano-Spectroscopic Imaging of Matter

Interactions at the nanometer length scale in hard and soft condensed matter give rise to intriguing phases in correlated electron materials, lead to the design of exotic metamaterials, and offer enormous opportunities for the development of novel therapeutics and vaccines. I will present my group’s recent study of subwavelength-scale interactions in hard and soft condensed nanomaterials using terahertz, infrared, and optical nanoscopy…
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