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Slideshow

Tags: Physical Seminar

Scanning Tunneling Microscopy (STM) has been a powerful method of imaging surfaces with very high spatial resolution. Another important use of STM is the study of molecular reaction pathways brought about by inelastic electron tunneling. In this process, tunneling electrons containing energy above a threshold bring about an excitation in the molecular system which leads to reaction pathways as the excited molecule consequently relaxes along its…
Ultrafast Two-Dimensional (2D) Spectroscopy is a powerful technique that has provided valuable insight into diverse systems from protein folding to isomerization of metal complexes. We aim to bring this technique to the realm of small molecules in molecular beams. 2D spectroscopy is unique because it allows for the direct measurement of coupled excitations, represented by off diagonal peaks within the spectra. However, because 2D spectroscopy is…
Magnetoreception plays a key role in the migration of the European robin. Cryptochrome (Cry) is believed to be responsible for the ability of these birds to detect the direction of the geomagnetic field during migration. A cofactor of cryptochrome, flavin adenine dinucleotide (FAD) absorbs blue light, resulting in a ᴨ to ᴨ* transition. In this ᴨ* excited state, FAD is the recipient of four consecutive electron transfers along a tryptophan (Trp)…
Raman Lasers are an interesting option for Resonance Ion spectroscopy. They rely on a Raman transition which is not limited by bound transition. This work demonstrates Raman lasers ability to be used for high resolution spectroscopy to observe atomic transitions. 
Many consequential chemical processes take place on ultrafast timescales, including molecular vibrations and bond breaking. Measurements that follow ultrafast molecular dynamics in real time are changing our understanding of these processes. We are designing new tools to study ultrafast molecular dynamics and quantum mechanics with the sensitivity enough to study the molecules in molecular beams and the spectral resolution sufficient for…
For a long time, explicitly correlated (F12) methods have offered a solution to the slow convergence of the one-electron basis set. Although there have been numerous studies in which F12 methods have improved the accuracy of single-point energies, most of these methods have not been extended to gradients and Hessians. One such method is the highly robust explicitly-correlated second-order Moeller-Plesset perturbation theory within the 3C(FIX)…
Helium nanodroplet isolation spectroscopy is a technique useful for studying highly reactive, open shell systems due to its low temperature, fast adiabatic cooling, and minimally perturbative matrix. The technique is particularly good at studying pre-reactive complexes with low activation barriers and small, hydrocarbon systems where rotational resolution is maintained due to the superfluid nature of the droplets. These types of systems are…
Monte Carlo simulations are a broad, popular class of algorithms that solve chemical problems by changing the position of atoms in a molecule by small, random displacements over a period of time.  The kinetic Monte Carlo approach improves on its earlier counterparts by allowing all of the atoms to move dynamically and by grouping these molecular vibrations such that they are treated simultaneously until there is a change in the overall…
Raman Spectroscopy is a powerful technique that can probe states not visible in absorption spectroscopy. One limitation for the resolution of a stimulated Raman scattering experiment is the linewidth of the stokes pump. This proposed method uses a diamond based Fabry-Perot Cavity to generate a narrow linewidth stokes pump leading to increased resolution. Then this laser is used to perform spectroscopy in an Ion-Trap to observe sub-doppler…
First row transition metals are at the center of many biological catalysts due to their abundance in nature and ability to accept and donate electrons with relative ease. Determining the electronic and structural changes as a catalytic process proceeds is difficult due to challenges associated with in situ and operando studies. X-Ray spectroscopic methods are powerful tools to elucidate oxidation states, spin states, and nature of the…

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